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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/B1-f4b921c1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B1-f4b921c1/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGUCUACGGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -242.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703390 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -330.698715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.698715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.698715 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -140.862
Base-Backbone interact. energy: -0.028
local terms energy: -176.640379
where:
bonds (distance) C4'-P energy: -42.163
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -36.356
flat angles P-C4'-P energy: -27.661
tors. eta vs tors. theta energy: -36.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -318.778046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.778046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.778046 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -110.642
Base-Backbone interact. energy: -0.059
local terms energy: -176.272242
where:
bonds (distance) C4'-P energy: -40.787
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -283.109021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.109021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.109021 (E_RNA)
where:
Base-Base interactions energy: -111.811
where: short stacking energy: -105.382
Base-Backbone interact. energy: -0.732
local terms energy: -170.565487
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -260.901366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.901366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.901366 (E_RNA)
where:
Base-Base interactions energy: -119.592
where: short stacking energy: -86.512
Base-Backbone interact. energy: -0.917
local terms energy: -140.392883
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -46.160
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -243.082732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.082732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.082732 (E_RNA)
where:
Base-Base interactions energy: -93.024
where: short stacking energy: -92.891
Base-Backbone interact. energy: -0.008
local terms energy: -150.050594
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -43.073
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -257.248427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.248427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.248427 (E_RNA)
where:
Base-Base interactions energy: -103.502
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.051
local terms energy: -153.694873
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -21.768
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: -241.951925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.951925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.951925 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -236.984376
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -241.989167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.989167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.989167 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.021618
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -27.012
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -241.989167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.989167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.989167 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -237.021618
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -27.012
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -241.866010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.866010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.866010 (E_RNA)
where:
Base-Base interactions energy: -4.967
where: short stacking energy: -4.967
Base-Backbone interact. energy: -0.000
local terms energy: -236.898461
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -399.732392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.732392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.732392 (E_RNA)
where:
Base-Base interactions energy: -203.969
where: short stacking energy: -159.326
Base-Backbone interact. energy: 1.211
local terms energy: -196.975239
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -39.737
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -370.724839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.724839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.724839 (E_RNA)
where:
Base-Base interactions energy: -194.975
where: short stacking energy: -123.763
Base-Backbone interact. energy: -0.454
local terms energy: -175.295305
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -286.433008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.433008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.433008 (E_RNA)
where:
Base-Base interactions energy: -122.392
where: short stacking energy: -115.022
Base-Backbone interact. energy: -0.367
local terms energy: -163.674213
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -37.743
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -29.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -286.563225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.563225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.563225 (E_RNA)
where:
Base-Base interactions energy: -106.923
where: short stacking energy: -88.210
Base-Backbone interact. energy: -0.168
local terms energy: -179.471896
where:
bonds (distance) C4'-P energy: -42.481
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -36.948
flat angles P-C4'-P energy: -29.006
tors. eta vs tors. theta energy: -26.348
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -327.225761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.225761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.225761 (E_RNA)
where:
Base-Base interactions energy: -164.733
where: short stacking energy: -102.343
Base-Backbone interact. energy: -0.007
local terms energy: -162.485830
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -235.714971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.714971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.714971 (E_RNA)
where:
Base-Base interactions energy: -94.435
where: short stacking energy: -75.580
Base-Backbone interact. energy: 0.333
local terms energy: -141.612702
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -25.928
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -219.106873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.106873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.106873 (E_RNA)
where:
Base-Base interactions energy: -77.896
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.988
local terms energy: -140.222940
where:
bonds (distance) C4'-P energy: -40.679
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -207.739154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739154 (E_RNA)
where:
Base-Base interactions energy: -60.261
where: short stacking energy: -56.675
Base-Backbone interact. energy: -1.435
local terms energy: -146.042759
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -208.054545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.054545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.054545 (E_RNA)
where:
Base-Base interactions energy: -93.590
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.480
local terms energy: -113.984525
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -166.166718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.166718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.166718 (E_RNA)
where:
Base-Base interactions energy: -64.663
where: short stacking energy: -39.130
Base-Backbone interact. energy: 0.126
local terms energy: -101.629798
where:
bonds (distance) C4'-P energy: -27.487
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: 11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -424.147638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.147638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.147638 (E_RNA)
where:
Base-Base interactions energy: -236.962
where: short stacking energy: -149.366
Base-Backbone interact. energy: -0.051
local terms energy: -187.134797
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -385.129561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.129561 (E_RNA)
where:
Base-Base interactions energy: -199.076
where: short stacking energy: -124.260
Base-Backbone interact. energy: -0.670
local terms energy: -185.383733
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -43.438
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -33.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -318.887658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.887658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.887658 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -106.681
Base-Backbone interact. energy: -0.270
local terms energy: -173.971106
where:
bonds (distance) C4'-P energy: -42.709
bonds (distance) P-C4' energy: -38.721
flat angles C4'-P-C4' energy: -43.610
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -349.794394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.794394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.794394 (E_RNA)
where:
Base-Base interactions energy: -190.808
where: short stacking energy: -103.094
Base-Backbone interact. energy: -0.707
local terms energy: -158.279164
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -32.608
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -339.387862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.387862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.387862 (E_RNA)
where:
Base-Base interactions energy: -194.028
where: short stacking energy: -97.624
Base-Backbone interact. energy: -0.147
local terms energy: -145.212014
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -34.243
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -239.580592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.580592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.580592 (E_RNA)
where:
Base-Base interactions energy: -111.916
where: short stacking energy: -69.953
Base-Backbone interact. energy: 0.448
local terms energy: -128.112710
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -43.151
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -260.537270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.537270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.537270 (E_RNA)
where:
Base-Base interactions energy: -110.318
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.437
local terms energy: -149.781774
where:
bonds (distance) C4'-P energy: -33.275
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -39.012
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -13.367
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -202.107129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.107129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.107129 (E_RNA)
where:
Base-Base interactions energy: -97.289
where: short stacking energy: -55.783
Base-Backbone interact. energy: -1.020
local terms energy: -103.797635
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: 1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -192.374710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.374710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.374710 (E_RNA)
where:
Base-Base interactions energy: -78.561
where: short stacking energy: -53.788
Base-Backbone interact. energy: 0.604
local terms energy: -114.417716
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -167.807356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.807356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.807356 (E_RNA)
where:
Base-Base interactions energy: -55.749
where: short stacking energy: -51.905
Base-Backbone interact. energy: -1.394
local terms energy: -110.663801
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -27.915
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: 10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -484.624692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.624692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.624692 (E_RNA)
where:
Base-Base interactions energy: -290.153
where: short stacking energy: -147.898
Base-Backbone interact. energy: -0.458
local terms energy: -194.013254
where:
bonds (distance) C4'-P energy: -38.168
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: -35.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -410.464853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.464853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.464853 (E_RNA)
where:
Base-Base interactions energy: -239.031
where: short stacking energy: -142.240
Base-Backbone interact. energy: 1.984
local terms energy: -173.418242
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -46.183
flat angles C4'-P-C4' energy: -32.091
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -36.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -339.920394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.920394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.920394 (E_RNA)
where:
Base-Base interactions energy: -161.683
where: short stacking energy: -100.121
Base-Backbone interact. energy: -1.233
local terms energy: -177.005160
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -41.641
flat angles C4'-P-C4' energy: -38.610
flat angles P-C4'-P energy: -31.458
tors. eta vs tors. theta energy: -28.020
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -404.188968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.188968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.188968 (E_RNA)
where:
Base-Base interactions energy: -235.709
where: short stacking energy: -117.634
Base-Backbone interact. energy: 0.944
local terms energy: -169.424215
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: -33.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -323.710742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.710742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.710742 (E_RNA)
where:
Base-Base interactions energy: -149.557
where: short stacking energy: -90.005
Base-Backbone interact. energy: -1.076
local terms energy: -173.077113
where:
bonds (distance) C4'-P energy: -44.207
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -19.520
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: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -298.288109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.288109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.288109 (E_RNA)
where:
Base-Base interactions energy: -154.256
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.488
local terms energy: -143.543711
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -42.930
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -27.723
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: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -226.619588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.619588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.619588 (E_RNA)
where:
Base-Base interactions energy: -102.737
where: short stacking energy: -78.053
Base-Backbone interact. energy: 0.116
local terms energy: -123.998566
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -3.744
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -252.644819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.644819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.644819 (E_RNA)
where:
Base-Base interactions energy: -128.874
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.726
local terms energy: -123.044461
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -37.953
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -200.350362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.350362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.350362 (E_RNA)
where:
Base-Base interactions energy: -81.626
where: short stacking energy: -48.657
Base-Backbone interact. energy: -0.906
local terms energy: -117.818314
where:
bonds (distance) C4'-P energy: -41.991
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -172.167567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.167567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.167567 (E_RNA)
where:
Base-Base interactions energy: -70.085
where: short stacking energy: -49.378
Base-Backbone interact. energy: 0.229
local terms energy: -102.311253
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: 11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -463.001744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.001744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.001744 (E_RNA)
where:
Base-Base interactions energy: -278.827
where: short stacking energy: -138.097
Base-Backbone interact. energy: -0.169
local terms energy: -184.006458
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -44.334
flat angles P-C4'-P energy: -32.263
tors. eta vs tors. theta energy: -37.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -423.941669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.941669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.941669 (E_RNA)
where:
Base-Base interactions energy: -258.660
where: short stacking energy: -127.653
Base-Backbone interact. energy: -0.285
local terms energy: -164.996569
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -43.795
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -34.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -417.849924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.849924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.849924 (E_RNA)
where:
Base-Base interactions energy: -249.332
where: short stacking energy: -143.344
Base-Backbone interact. energy: -0.630
local terms energy: -167.887265
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -363.384622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.384622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.384622 (E_RNA)
where:
Base-Base interactions energy: -207.643
where: short stacking energy: -87.770
Base-Backbone interact. energy: -0.518
local terms energy: -155.224172
where:
bonds (distance) C4'-P energy: -33.480
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -336.254330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.254330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.254330 (E_RNA)
where:
Base-Base interactions energy: -178.455
where: short stacking energy: -106.939
Base-Backbone interact. energy: -0.433
local terms energy: -157.366903
where:
bonds (distance) C4'-P energy: -35.132
bonds (distance) P-C4' energy: -40.644
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -271.389547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.389547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.389547 (E_RNA)
where:
Base-Base interactions energy: -123.874
where: short stacking energy: -76.637
Base-Backbone interact. energy: 0.147
local terms energy: -147.661956
where:
bonds (distance) C4'-P energy: -44.317
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -36.229
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -269.942118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.942118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.942118 (E_RNA)
where:
Base-Base interactions energy: -132.778
where: short stacking energy: -75.586
Base-Backbone interact. energy: -1.070
local terms energy: -136.094465
where:
bonds (distance) C4'-P energy: -28.889
bonds (distance) P-C4' energy: -38.988
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -196.556723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.556723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.556723 (E_RNA)
where:
Base-Base interactions energy: -81.892
where: short stacking energy: -77.647
Base-Backbone interact. energy: 2.499
local terms energy: -117.163556
where:
bonds (distance) C4'-P energy: -37.461
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -21.462
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -190.980142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980142 (E_RNA)
where:
Base-Base interactions energy: -100.062
where: short stacking energy: -50.980
Base-Backbone interact. energy: -0.136
local terms energy: -90.781869
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -173.410735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.410735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.410735 (E_RNA)
where:
Base-Base interactions energy: -63.099
where: short stacking energy: -54.354
Base-Backbone interact. energy: -0.447
local terms energy: -109.864697
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -517.611346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.611346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.611346 (E_RNA)
where:
Base-Base interactions energy: -318.753
where: short stacking energy: -159.212
Base-Backbone interact. energy: -0.593
local terms energy: -198.265800
where:
bonds (distance) C4'-P energy: -42.555
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -41.358
flat angles P-C4'-P energy: -28.414
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: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -460.449418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.449418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.449418 (E_RNA)
where:
Base-Base interactions energy: -284.380
where: short stacking energy: -148.263
Base-Backbone interact. energy: -1.280
local terms energy: -174.789899
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -43.050
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -31.779
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: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -439.031240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.031240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.031240 (E_RNA)
where:
Base-Base interactions energy: -251.633
where: short stacking energy: -128.628
Base-Backbone interact. energy: -0.516
local terms energy: -186.881963
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -39.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -374.397312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.397312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.397312 (E_RNA)
where:
Base-Base interactions energy: -230.366
where: short stacking energy: -113.371
Base-Backbone interact. energy: -1.899
local terms energy: -142.132592
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -15.571
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: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -342.231752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.231752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.231752 (E_RNA)
where:
Base-Base interactions energy: -183.043
where: short stacking energy: -87.066
Base-Backbone interact. energy: -1.357
local terms energy: -157.832448
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -41.374
flat angles C4'-P-C4' energy: -32.623
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -320.120412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.120412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.120412 (E_RNA)
where:
Base-Base interactions energy: -175.760
where: short stacking energy: -97.157
Base-Backbone interact. energy: 2.500
local terms energy: -146.860323
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -35.722
flat angles C4'-P-C4' energy: -42.930
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -11.817
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: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -237.669107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.669107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.669107 (E_RNA)
where:
Base-Base interactions energy: -104.297
where: short stacking energy: -72.232
Base-Backbone interact. energy: 0.465
local terms energy: -133.837429
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -206.682085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.682085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.682085 (E_RNA)
where:
Base-Base interactions energy: -84.099
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.013
local terms energy: -122.570178
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -37.880
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: 6.266
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: 7
Temperature: 1.300000
Total energy: -180.128218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.128218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.128218 (E_RNA)
where:
Base-Base interactions energy: -55.926
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.586
local terms energy: -123.616703
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -5.885
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: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -182.646592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.646592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.646592 (E_RNA)
where:
Base-Base interactions energy: -85.318
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.390
local terms energy: -96.938638
where:
bonds (distance) C4'-P energy: -36.147
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -7.149
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: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -513.956872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.956872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.956872 (E_RNA)
where:
Base-Base interactions energy: -312.127
where: short stacking energy: -177.104
Base-Backbone interact. energy: -0.463
local terms energy: -201.367122
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -43.142
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -48.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -488.780418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.780418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.780418 (E_RNA)
where:
Base-Base interactions energy: -317.036
where: short stacking energy: -152.567
Base-Backbone interact. energy: 0.236
local terms energy: -171.979677
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -36.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -466.776767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.776767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.776767 (E_RNA)
where:
Base-Base interactions energy: -282.329
where: short stacking energy: -153.480
Base-Backbone interact. energy: 0.701
local terms energy: -185.149050
where:
bonds (distance) C4'-P energy: -34.839
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -41.786
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -44.620
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -374.028638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.028638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.028638 (E_RNA)
where:
Base-Base interactions energy: -213.266
where: short stacking energy: -123.189
Base-Backbone interact. energy: -1.720
local terms energy: -159.042908
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -35.541
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -33.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -406.884823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.884823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.884823 (E_RNA)
where:
Base-Base interactions energy: -254.366
where: short stacking energy: -130.244
Base-Backbone interact. energy: -0.377
local terms energy: -152.141987
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -36.321
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -272.275887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.275887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.275887 (E_RNA)
where:
Base-Base interactions energy: -119.820
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.114
local terms energy: -152.341514
where:
bonds (distance) C4'-P energy: -44.126
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -227.597635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.597635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.597635 (E_RNA)
where:
Base-Base interactions energy: -84.446
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.460
local terms energy: -142.692528
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -35.251
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -216.227872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.227872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.227872 (E_RNA)
where:
Base-Base interactions energy: -111.117
where: short stacking energy: -79.068
Base-Backbone interact. energy: -1.258
local terms energy: -103.852767
where:
bonds (distance) C4'-P energy: -33.156
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -27.123
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -183.366985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366985 (E_RNA)
where:
Base-Base interactions energy: -68.891
where: short stacking energy: -45.777
Base-Backbone interact. energy: 0.550
local terms energy: -115.025915
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -167.005199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.005199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.005199 (E_RNA)
where:
Base-Base interactions energy: -58.468
where: short stacking energy: -37.883
Base-Backbone interact. energy: 0.158
local terms energy: -108.694560
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: 10.905
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -525.798610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.798610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.798610 (E_RNA)
where:
Base-Base interactions energy: -343.924
where: short stacking energy: -170.717
Base-Backbone interact. energy: -1.129
local terms energy: -180.745304
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -44.371
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -482.575651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.575651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.575651 (E_RNA)
where:
Base-Base interactions energy: -293.410
where: short stacking energy: -157.547
Base-Backbone interact. energy: -0.040
local terms energy: -189.125874
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -40.732
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -41.507
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: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -506.939936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.939936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.939936 (E_RNA)
where:
Base-Base interactions energy: -319.995
where: short stacking energy: -151.279
Base-Backbone interact. energy: -0.572
local terms energy: -186.372460
where:
bonds (distance) C4'-P energy: -37.783
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -30.591
tors. eta vs tors. theta energy: -39.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -447.893544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.893544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.893544 (E_RNA)
where:
Base-Base interactions energy: -267.644
where: short stacking energy: -117.128
Base-Backbone interact. energy: 0.256
local terms energy: -180.505060
where:
bonds (distance) C4'-P energy: -45.853
bonds (distance) P-C4' energy: -34.509
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: -33.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -359.490436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.490436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.490436 (E_RNA)
where:
Base-Base interactions energy: -206.277
where: short stacking energy: -107.185
Base-Backbone interact. energy: -0.743
local terms energy: -152.469870
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -40.606
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -296.803629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.803629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.803629 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.344
local terms energy: -153.540248
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -196.525258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.525258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.525258 (E_RNA)
where:
Base-Base interactions energy: -71.031
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.395
local terms energy: -125.099198
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: 2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -204.985322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.985322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.985322 (E_RNA)
where:
Base-Base interactions energy: -94.085
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.579
local terms energy: -110.320893
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -36.504
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -190.641872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.641872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.641872 (E_RNA)
where:
Base-Base interactions energy: -79.076
where: short stacking energy: -46.426
Base-Backbone interact. energy: -1.071
local terms energy: -110.494754
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: 3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -206.343248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.343248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.343248 (E_RNA)
where:
Base-Base interactions energy: -84.780
where: short stacking energy: -76.474
Base-Backbone interact. energy: 4.132
local terms energy: -125.694991
where:
bonds (distance) C4'-P energy: -36.856
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -3.609
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: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -518.199345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.199345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.199345 (E_RNA)
where:
Base-Base interactions energy: -317.728
where: short stacking energy: -166.297
Base-Backbone interact. energy: 0.239
local terms energy: -200.710059
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -45.911
flat angles P-C4'-P energy: -29.215
tors. eta vs tors. theta energy: -42.817
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -548.586764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.586764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.586764 (E_RNA)
where:
Base-Base interactions energy: -349.072
where: short stacking energy: -151.317
Base-Backbone interact. energy: -1.453
local terms energy: -198.061480
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -41.076
flat angles P-C4'-P energy: -30.327
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: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -496.338446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.338446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.338446 (E_RNA)
where:
Base-Base interactions energy: -302.718
where: short stacking energy: -151.933
Base-Backbone interact. energy: -0.273
local terms energy: -193.347874
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: -45.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -524.585014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.585014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.585014 (E_RNA)
where:
Base-Base interactions energy: -334.389
where: short stacking energy: -162.398
Base-Backbone interact. energy: -1.295
local terms energy: -188.900673
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -48.038
flat angles P-C4'-P energy: -22.449
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: 10
Temperature: 1.100000
Total energy: -409.252642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.252642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.252642 (E_RNA)
where:
Base-Base interactions energy: -237.618
where: short stacking energy: -105.496
Base-Backbone interact. energy: -1.520
local terms energy: -170.115187
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -292.478388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.478388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.478388 (E_RNA)
where:
Base-Base interactions energy: -124.173
where: short stacking energy: -87.687
Base-Backbone interact. energy: -1.530
local terms energy: -166.775954
where:
bonds (distance) C4'-P energy: -40.824
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -253.924183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.924183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.924183 (E_RNA)
where:
Base-Base interactions energy: -104.801
where: short stacking energy: -66.172
Base-Backbone interact. energy: -1.929
local terms energy: -147.194422
where:
bonds (distance) C4'-P energy: -43.866
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -35.802
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -226.329072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.329072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.329072 (E_RNA)
where:
Base-Base interactions energy: -102.402
where: short stacking energy: -68.928
Base-Backbone interact. energy: -0.173
local terms energy: -123.754031
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -4.424
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -222.383547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.383547 (E_RNA)
where:
Base-Base interactions energy: -102.259
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.554
local terms energy: -119.570442
where:
bonds (distance) C4'-P energy: -34.605
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -163.590589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.590589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.590589 (E_RNA)
where:
Base-Base interactions energy: -55.041
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.974
local terms energy: -107.575272
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -37.102
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: 17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -509.455093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.455093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.455093 (E_RNA)
where:
Base-Base interactions energy: -320.335
where: short stacking energy: -152.092
Base-Backbone interact. energy: -0.091
local terms energy: -189.028907
where:
bonds (distance) C4'-P energy: -39.664
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -49.469
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -36.910
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -546.229723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.229723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.229723 (E_RNA)
where:
Base-Base interactions energy: -340.862
where: short stacking energy: -155.723
Base-Backbone interact. energy: -1.731
local terms energy: -203.636751
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -44.906
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -509.728591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.728591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.728591 (E_RNA)
where:
Base-Base interactions energy: -325.181
where: short stacking energy: -148.697
Base-Backbone interact. energy: -1.097
local terms energy: -183.451031
where:
bonds (distance) C4'-P energy: -42.137
bonds (distance) P-C4' energy: -41.503
flat angles C4'-P-C4' energy: -40.229
flat angles P-C4'-P energy: -21.060
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: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -533.663365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.663365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.663365 (E_RNA)
where:
Base-Base interactions energy: -341.113
where: short stacking energy: -182.734
Base-Backbone interact. energy: -1.089
local terms energy: -191.461558
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -55.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -425.410667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.410667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.410667 (E_RNA)
where:
Base-Base interactions energy: -276.278
where: short stacking energy: -124.207
Base-Backbone interact. energy: 0.816
local terms energy: -149.948808
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -28.671
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: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -320.671687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.671687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.671687 (E_RNA)
where:
Base-Base interactions energy: -159.777
where: short stacking energy: -85.596
Base-Backbone interact. energy: -0.693
local terms energy: -160.201787
where:
bonds (distance) C4'-P energy: -37.254
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -251.721520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.721520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.721520 (E_RNA)
where:
Base-Base interactions energy: -103.498
where: short stacking energy: -85.140
Base-Backbone interact. energy: -0.533
local terms energy: -147.690016
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -187.648654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648654 (E_RNA)
where:
Base-Base interactions energy: -69.710
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.280
local terms energy: -117.658144
where:
bonds (distance) C4'-P energy: -41.826
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -8.074
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -187.544698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.544698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.544698 (E_RNA)
where:
Base-Base interactions energy: -80.748
where: short stacking energy: -47.442
Base-Backbone interact. energy: 0.705
local terms energy: -107.501760
where:
bonds (distance) C4'-P energy: -37.162
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -160.471238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.471238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.471238 (E_RNA)
where:
Base-Base interactions energy: -54.357
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.276
local terms energy: -105.837793
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: 5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -577.896629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.896629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.896629 (E_RNA)
where:
Base-Base interactions energy: -376.657
where: short stacking energy: -158.584
Base-Backbone interact. energy: -1.752
local terms energy: -199.487891
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -32.754
tors. eta vs tors. theta energy: -43.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -511.151722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.151722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.151722 (E_RNA)
where:
Base-Base interactions energy: -310.688
where: short stacking energy: -167.005
Base-Backbone interact. energy: -0.624
local terms energy: -199.840321
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -38.720
flat angles C4'-P-C4' energy: -44.385
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -50.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -532.967991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.967991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.967991 (E_RNA)
where:
Base-Base interactions energy: -349.449
where: short stacking energy: -152.969
Base-Backbone interact. energy: 1.391
local terms energy: -184.909724
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -38.659
flat angles C4'-P-C4' energy: -36.723
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -43.910
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: 10
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -535.103866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.103866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.103866 (E_RNA)
where:
Base-Base interactions energy: -345.983
where: short stacking energy: -172.111
Base-Backbone interact. energy: -2.649
local terms energy: -186.472103
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -46.448
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -56.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -450.141966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.141966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.141966 (E_RNA)
where:
Base-Base interactions energy: -297.834
where: short stacking energy: -120.402
Base-Backbone interact. energy: -1.504
local terms energy: -150.804038
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -38.754
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -30.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -306.450505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.450505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.450505 (E_RNA)
where:
Base-Base interactions energy: -163.830
where: short stacking energy: -104.024
Base-Backbone interact. energy: -0.096
local terms energy: -142.524169
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -19.448
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: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -218.925168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.925168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925168 (E_RNA)
where:
Base-Base interactions energy: -100.016
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.494
local terms energy: -118.414883
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -45.038
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: 1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -195.468350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.468350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.468350 (E_RNA)
where:
Base-Base interactions energy: -79.144
where: short stacking energy: -60.993
Base-Backbone interact. energy: -1.638
local terms energy: -114.686693
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -192.210460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.210460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.210460 (E_RNA)
where:
Base-Base interactions energy: -78.978
where: short stacking energy: -71.623
Base-Backbone interact. energy: 1.421
local terms energy: -114.653819
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -169.588147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.588147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.588147 (E_RNA)
where:
Base-Base interactions energy: -53.551
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.374
local terms energy: -115.663448
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -39.182
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -599.681318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.681318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.681318 (E_RNA)
where:
Base-Base interactions energy: -394.494
where: short stacking energy: -174.237
Base-Backbone interact. energy: -0.250
local terms energy: -204.936460
where:
bonds (distance) C4'-P energy: -44.476
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -44.108
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -54.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -540.085118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.085118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.085118 (E_RNA)
where:
Base-Base interactions energy: -340.031
where: short stacking energy: -166.540
Base-Backbone interact. energy: -0.275
local terms energy: -199.778891
where:
bonds (distance) C4'-P energy: -41.984
bonds (distance) P-C4' energy: -40.453
flat angles C4'-P-C4' energy: -47.829
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -46.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -497.999842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.999842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.999842 (E_RNA)
where:
Base-Base interactions energy: -321.450
where: short stacking energy: -154.190
Base-Backbone interact. energy: 0.198
local terms energy: -176.747580
where:
bonds (distance) C4'-P energy: -39.787
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -24.006
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: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -556.977295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.977295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.977295 (E_RNA)
where:
Base-Base interactions energy: -359.450
where: short stacking energy: -175.074
Base-Backbone interact. energy: -0.131
local terms energy: -197.396412
where:
bonds (distance) C4'-P energy: -33.775
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -41.849
flat angles P-C4'-P energy: -33.738
tors. eta vs tors. theta energy: -55.024
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: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -468.792221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.792221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.792221 (E_RNA)
where:
Base-Base interactions energy: -303.635
where: short stacking energy: -123.812
Base-Backbone interact. energy: -1.289
local terms energy: -163.867791
where:
bonds (distance) C4'-P energy: -34.301
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -30.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -298.173225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.173225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.173225 (E_RNA)
where:
Base-Base interactions energy: -160.109
where: short stacking energy: -87.120
Base-Backbone interact. energy: -0.975
local terms energy: -137.088798
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -34.270
flat angles C4'-P-C4' energy: -37.684
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -204.209699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.209699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.209699 (E_RNA)
where:
Base-Base interactions energy: -78.045
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.385
local terms energy: -125.779632
where:
bonds (distance) C4'-P energy: -40.227
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -1.823
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: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -187.324149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.324149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.324149 (E_RNA)
where:
Base-Base interactions energy: -57.540
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.998
local terms energy: -128.786487
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -32.774
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -188.591572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.591572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.591572 (E_RNA)
where:
Base-Base interactions energy: -71.719
where: short stacking energy: -68.137
Base-Backbone interact. energy: -1.043
local terms energy: -115.828874
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -3.734
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: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -184.052472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.052472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.052472 (E_RNA)
where:
Base-Base interactions energy: -64.092
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.661
local terms energy: -119.299698
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -42.682
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: 1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -582.201303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.201303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.201303 (E_RNA)
where:
Base-Base interactions energy: -381.657
where: short stacking energy: -179.268
Base-Backbone interact. energy: 0.234
local terms energy: -200.778416
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -42.890
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -49.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -549.785070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.785070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.785070 (E_RNA)
where:
Base-Base interactions energy: -352.968
where: short stacking energy: -173.794
Base-Backbone interact. energy: -0.388
local terms energy: -196.428814
where:
bonds (distance) C4'-P energy: -32.425
bonds (distance) P-C4' energy: -46.670
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -30.193
tors. eta vs tors. theta energy: -48.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -592.162014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.162014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.162014 (E_RNA)
where:
Base-Base interactions energy: -384.110
where: short stacking energy: -175.321
Base-Backbone interact. energy: -0.086
local terms energy: -207.965605
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -51.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -446.847597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.847597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.847597 (E_RNA)
where:
Base-Base interactions energy: -274.093
where: short stacking energy: -133.870
Base-Backbone interact. energy: -0.846
local terms energy: -171.908437
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -23.885
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -449.216713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.216713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.216713 (E_RNA)
where:
Base-Base interactions energy: -273.660
where: short stacking energy: -125.902
Base-Backbone interact. energy: -0.368
local terms energy: -175.188360
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -34.760
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -31.901
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: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -292.314269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.314269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.314269 (E_RNA)
where:
Base-Base interactions energy: -163.885
where: short stacking energy: -76.882
Base-Backbone interact. energy: 0.943
local terms energy: -129.371931
where:
bonds (distance) C4'-P energy: -40.236
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -237.458967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.458967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.458967 (E_RNA)
where:
Base-Base interactions energy: -95.108
where: short stacking energy: -70.744
Base-Backbone interact. energy: -0.300
local terms energy: -142.051420
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -39.944
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -229.946414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.946414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.946414 (E_RNA)
where:
Base-Base interactions energy: -94.704
where: short stacking energy: -70.302
Base-Backbone interact. energy: 0.291
local terms energy: -135.533321
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -189.728308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.728308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.728308 (E_RNA)
where:
Base-Base interactions energy: -73.012
where: short stacking energy: -61.438
Base-Backbone interact. energy: 3.623
local terms energy: -120.338910
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -177.850558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.850558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.850558 (E_RNA)
where:
Base-Base interactions energy: -57.167
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.352
local terms energy: -120.332064
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -5.030
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: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -608.352587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.352587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.352587 (E_RNA)
where:
Base-Base interactions energy: -395.708
where: short stacking energy: -185.744
Base-Backbone interact. energy: -0.892
local terms energy: -211.752299
where:
bonds (distance) C4'-P energy: -42.602
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -39.740
flat angles P-C4'-P energy: -32.011
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: 2, replica: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -587.019853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.019853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.019853 (E_RNA)
where:
Base-Base interactions energy: -384.630
where: short stacking energy: -178.287
Base-Backbone interact. energy: 0.592
local terms energy: -202.982175
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -31.460
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -546.123102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.123102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.123102 (E_RNA)
where:
Base-Base interactions energy: -363.656
where: short stacking energy: -164.241
Base-Backbone interact. energy: -0.632
local terms energy: -181.834913
where:
bonds (distance) C4'-P energy: -37.239
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -45.255
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -453.140963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.140963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.140963 (E_RNA)
where:
Base-Base interactions energy: -298.087
where: short stacking energy: -142.115
Base-Backbone interact. energy: -1.123
local terms energy: -153.930851
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -39.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -419.796445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.796445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.796445 (E_RNA)
where:
Base-Base interactions energy: -242.166
where: short stacking energy: -110.342
Base-Backbone interact. energy: -1.850
local terms energy: -175.780832
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -46.238
flat angles C4'-P-C4' energy: -38.904
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -304.207538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.207538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.207538 (E_RNA)
where:
Base-Base interactions energy: -161.240
where: short stacking energy: -81.361
Base-Backbone interact. energy: -0.503
local terms energy: -142.463799
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -39.778
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -209.506246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.506246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.506246 (E_RNA)
where:
Base-Base interactions energy: -92.546
where: short stacking energy: -53.125
Base-Backbone interact. energy: -1.173
local terms energy: -115.787442
where:
bonds (distance) C4'-P energy: -28.102
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -30.530
flat angles P-C4'-P energy: -22.210
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: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -194.676973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.676973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.676973 (E_RNA)
where:
Base-Base interactions energy: -58.580
where: short stacking energy: -54.533
Base-Backbone interact. energy: 0.606
local terms energy: -136.702964
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -173.128837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.128837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.128837 (E_RNA)
where:
Base-Base interactions energy: -61.919
where: short stacking energy: -55.141
Base-Backbone interact. energy: 0.045
local terms energy: -111.254676
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -33.946
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: 3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -184.577525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.577525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.577525 (E_RNA)
where:
Base-Base interactions energy: -70.584
where: short stacking energy: -62.054
Base-Backbone interact. energy: -0.286
local terms energy: -113.708080
where:
bonds (distance) C4'-P energy: -32.641
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -614.600181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.600181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.600181 (E_RNA)
where:
Base-Base interactions energy: -414.039
where: short stacking energy: -195.728
Base-Backbone interact. energy: -0.606
local terms energy: -199.955356
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -37.848
flat angles C4'-P-C4' energy: -34.834
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -54.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -563.064077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.064077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.064077 (E_RNA)
where:
Base-Base interactions energy: -373.570
where: short stacking energy: -166.049
Base-Backbone interact. energy: -0.182
local terms energy: -189.312223
where:
bonds (distance) C4'-P energy: -36.540
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -42.375
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -510.640498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.640498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.640498 (E_RNA)
where:
Base-Base interactions energy: -327.297
where: short stacking energy: -145.558
Base-Backbone interact. energy: -0.534
local terms energy: -182.809423
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -41.557
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -43.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -472.639400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.639400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.639400 (E_RNA)
where:
Base-Base interactions energy: -299.184
where: short stacking energy: -129.313
Base-Backbone interact. energy: 0.846
local terms energy: -174.301327
where:
bonds (distance) C4'-P energy: -41.005
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -481.403535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.403535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.403535 (E_RNA)
where:
Base-Base interactions energy: -311.136
where: short stacking energy: -132.071
Base-Backbone interact. energy: -1.002
local terms energy: -169.265705
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -35.163
flat angles P-C4'-P energy: -27.764
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: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -307.142482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.142482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.142482 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -108.003
Base-Backbone interact. energy: 0.203
local terms energy: -152.742275
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -41.604
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -20.716
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: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -209.603252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.603252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.603252 (E_RNA)
where:
Base-Base interactions energy: -73.045
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.665
local terms energy: -135.893130
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -23.134
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: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -200.231701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.231701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.231701 (E_RNA)
where:
Base-Base interactions energy: -70.420
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.780
local terms energy: -129.031513
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -37.471
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -7.969
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -182.840788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.840788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.840788 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -44.248
Base-Backbone interact. energy: 0.113
local terms energy: -133.523076
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -42.913
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -173.419318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.419318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.419318 (E_RNA)
where:
Base-Base interactions energy: -61.398
where: short stacking energy: -48.360
Base-Backbone interact. energy: 0.071
local terms energy: -112.092481
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -36.745
flat angles C4'-P-C4' energy: -36.121
flat angles P-C4'-P energy: -3.373
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: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -606.414845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.414845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.414845 (E_RNA)
where:
Base-Base interactions energy: -407.638
where: short stacking energy: -190.573
Base-Backbone interact. energy: -0.497
local terms energy: -198.279705
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -58.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -576.122816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.122816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.122816 (E_RNA)
where:
Base-Base interactions energy: -386.711
where: short stacking energy: -175.755
Base-Backbone interact. energy: -0.916
local terms energy: -188.495969
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -44.787
flat angles C4'-P-C4' energy: -36.350
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -54.174
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: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -542.974833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.974833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.974833 (E_RNA)
where:
Base-Base interactions energy: -346.725
where: short stacking energy: -173.630
Base-Backbone interact. energy: 0.160
local terms energy: -196.410016
where:
bonds (distance) C4'-P energy: -40.072
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -47.910
flat angles P-C4'-P energy: -23.402
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -470.798246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.798246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.798246 (E_RNA)
where:
Base-Base interactions energy: -305.185
where: short stacking energy: -134.090
Base-Backbone interact. energy: -0.938
local terms energy: -164.675223
where:
bonds (distance) C4'-P energy: -38.471
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -37.198
flat angles P-C4'-P energy: -24.523
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: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -466.947405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.947405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.947405 (E_RNA)
where:
Base-Base interactions energy: -289.197
where: short stacking energy: -145.770
Base-Backbone interact. energy: 0.281
local terms energy: -178.031643
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -40.951
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -30.481
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -283.167849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.167849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.167849 (E_RNA)
where:
Base-Base interactions energy: -144.074
where: short stacking energy: -95.625
Base-Backbone interact. energy: -0.551
local terms energy: -138.543644
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -35.897
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -26.623
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -214.036922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.036922 (E_RNA)
where:
Base-Base interactions energy: -79.869
where: short stacking energy: -73.759
Base-Backbone interact. energy: 1.207
local terms energy: -135.375051
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -33.913
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -221.636699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.636699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636699 (E_RNA)
where:
Base-Base interactions energy: -99.534
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.348
local terms energy: -121.754662
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -21.261
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -185.180491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.180491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.180491 (E_RNA)
where:
Base-Base interactions energy: -62.938
where: short stacking energy: -51.784
Base-Backbone interact. energy: 0.019
local terms energy: -122.261676
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -179.927249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.927249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.927249 (E_RNA)
where:
Base-Base interactions energy: -71.602
where: short stacking energy: -47.075
Base-Backbone interact. energy: -2.126
local terms energy: -106.199135
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: 0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -623.681202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.681202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.681202 (E_RNA)
where:
Base-Base interactions energy: -414.821
where: short stacking energy: -189.149
Base-Backbone interact. energy: -0.493
local terms energy: -208.367778
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -38.657
flat angles C4'-P-C4' energy: -43.460
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -64.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -585.903495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.903495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.903495 (E_RNA)
where:
Base-Base interactions energy: -371.783
where: short stacking energy: -174.218
Base-Backbone interact. energy: 2.533
local terms energy: -216.653977
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -39.969
flat angles C4'-P-C4' energy: -44.386
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -56.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -544.088396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.088396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.088396 (E_RNA)
where:
Base-Base interactions energy: -354.153
where: short stacking energy: -177.838
Base-Backbone interact. energy: -0.498
local terms energy: -189.437267
where:
bonds (distance) C4'-P energy: -37.867
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -42.683
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -47.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -476.748613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.748613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.748613 (E_RNA)
where:
Base-Base interactions energy: -308.055
where: short stacking energy: -137.351
Base-Backbone interact. energy: -0.780
local terms energy: -167.912980
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -28.937
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -493.258819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.258819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.258819 (E_RNA)
where:
Base-Base interactions energy: -317.306
where: short stacking energy: -144.126
Base-Backbone interact. energy: -0.072
local terms energy: -175.881314
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -38.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -274.968524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.968524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.968524 (E_RNA)
where:
Base-Base interactions energy: -136.986
where: short stacking energy: -92.055
Base-Backbone interact. energy: 4.024
local terms energy: -142.006550
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -36.269
flat angles C4'-P-C4' energy: -43.220
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -239.108055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.108055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.108055 (E_RNA)
where:
Base-Base interactions energy: -109.761
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.765
local terms energy: -128.582107
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -40.062
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: 3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -211.086183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.086183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.086183 (E_RNA)
where:
Base-Base interactions energy: -83.748
where: short stacking energy: -56.299
Base-Backbone interact. energy: 1.783
local terms energy: -129.121586
where:
bonds (distance) C4'-P energy: -36.876
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -23.842
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -180.485238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.485238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.485238 (E_RNA)
where:
Base-Base interactions energy: -63.335
where: short stacking energy: -55.877
Base-Backbone interact. energy: -0.403
local terms energy: -116.747280
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: 2.874
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: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -185.393427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.393427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.393427 (E_RNA)
where:
Base-Base interactions energy: -77.935
where: short stacking energy: -49.396
Base-Backbone interact. energy: 1.101
local terms energy: -108.559879
where:
bonds (distance) C4'-P energy: -39.727
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -626.597067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.597067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.597067 (E_RNA)
where:
Base-Base interactions energy: -407.117
where: short stacking energy: -197.392
Base-Backbone interact. energy: -0.644
local terms energy: -218.835984
where:
bonds (distance) C4'-P energy: -41.479
bonds (distance) P-C4' energy: -43.499
flat angles C4'-P-C4' energy: -43.135
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -63.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -575.692210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.692210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.692210 (E_RNA)
where:
Base-Base interactions energy: -364.570
where: short stacking energy: -180.356
Base-Backbone interact. energy: -0.807
local terms energy: -210.315493
where:
bonds (distance) C4'-P energy: -42.668
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -47.531
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: -51.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -558.387909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.387909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.387909 (E_RNA)
where:
Base-Base interactions energy: -358.891
where: short stacking energy: -175.034
Base-Backbone interact. energy: 0.284
local terms energy: -199.780568
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -35.490
flat angles C4'-P-C4' energy: -37.739
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -489.855992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.855992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.855992 (E_RNA)
where:
Base-Base interactions energy: -300.131
where: short stacking energy: -127.930
Base-Backbone interact. energy: -1.758
local terms energy: -187.967139
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -42.970
flat angles C4'-P-C4' energy: -43.091
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -38.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -460.727429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.727429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.727429 (E_RNA)
where:
Base-Base interactions energy: -298.156
where: short stacking energy: -136.571
Base-Backbone interact. energy: 0.168
local terms energy: -162.739929
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -37.102
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: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -299.497462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.497462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.497462 (E_RNA)
where:
Base-Base interactions energy: -149.019
where: short stacking energy: -93.976
Base-Backbone interact. energy: -1.681
local terms energy: -148.797416
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -37.671
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -214.736675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.736675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.736675 (E_RNA)
where:
Base-Base interactions energy: -93.135
where: short stacking energy: -75.998
Base-Backbone interact. energy: 0.876
local terms energy: -122.477644
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -195.510564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.510564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.510564 (E_RNA)
where:
Base-Base interactions energy: -82.811
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.355
local terms energy: -112.344949
where:
bonds (distance) C4'-P energy: -39.180
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -185.515404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515404 (E_RNA)
where:
Base-Base interactions energy: -68.592
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.392
local terms energy: -116.531615
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -194.666726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.666726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666726 (E_RNA)
where:
Base-Base interactions energy: -72.025
where: short stacking energy: -55.858
Base-Backbone interact. energy: 0.986
local terms energy: -123.627775
where:
bonds (distance) C4'-P energy: -31.345
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -647.331079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.331079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.331079 (E_RNA)
where:
Base-Base interactions energy: -438.457
where: short stacking energy: -196.476
Base-Backbone interact. energy: -0.212
local terms energy: -208.662506
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -61.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -580.999317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.999317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.999317 (E_RNA)
where:
Base-Base interactions energy: -384.081
where: short stacking energy: -175.951
Base-Backbone interact. energy: -0.388
local terms energy: -196.530228
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -42.509
flat angles C4'-P-C4' energy: -42.694
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -58.621
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: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -551.882875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.882875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.882875 (E_RNA)
where:
Base-Base interactions energy: -361.356
where: short stacking energy: -159.703
Base-Backbone interact. energy: -1.145
local terms energy: -189.381494
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -29.685
tors. eta vs tors. theta energy: -41.653
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -473.357890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.357890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.357890 (E_RNA)
where:
Base-Base interactions energy: -288.368
where: short stacking energy: -146.089
Base-Backbone interact. energy: 0.602
local terms energy: -185.592401
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -43.111
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -29.042
tors. eta vs tors. theta energy: -37.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -446.321686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.321686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.321686 (E_RNA)
where:
Base-Base interactions energy: -273.841
where: short stacking energy: -125.723
Base-Backbone interact. energy: -1.830
local terms energy: -170.650100
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -38.341
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -24.956
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: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -299.860599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.860599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.860599 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -94.997
Base-Backbone interact. energy: 0.317
local terms energy: -153.644055
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -201.118493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.118493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.118493 (E_RNA)
where:
Base-Base interactions energy: -89.363
where: short stacking energy: -72.459
Base-Backbone interact. energy: -0.749
local terms energy: -111.005976
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -31.055
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -202.019690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.019690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019690 (E_RNA)
where:
Base-Base interactions energy: -87.054
where: short stacking energy: -66.452
Base-Backbone interact. energy: 1.256
local terms energy: -116.222018
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: 3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -182.519003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.519003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.519003 (E_RNA)
where:
Base-Base interactions energy: -61.202
where: short stacking energy: -43.758
Base-Backbone interact. energy: 2.832
local terms energy: -124.148403
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -32.159
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: 2.129
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: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -177.209890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.209890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.209890 (E_RNA)
where:
Base-Base interactions energy: -55.014
where: short stacking energy: -50.721
Base-Backbone interact. energy: 0.822
local terms energy: -123.017399
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -622.613771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.613771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.613771 (E_RNA)
where:
Base-Base interactions energy: -405.469
where: short stacking energy: -183.669
Base-Backbone interact. energy: -0.752
local terms energy: -216.392617
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -44.104
flat angles C4'-P-C4' energy: -45.664
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -59.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -622.241748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.241748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.241748 (E_RNA)
where:
Base-Base interactions energy: -398.424
where: short stacking energy: -187.372
Base-Backbone interact. energy: -1.244
local terms energy: -222.573941
where:
bonds (distance) C4'-P energy: -40.007
bonds (distance) P-C4' energy: -40.287
flat angles C4'-P-C4' energy: -47.245
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -60.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -576.529754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.529754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.529754 (E_RNA)
where:
Base-Base interactions energy: -391.339
where: short stacking energy: -154.949
Base-Backbone interact. energy: -0.341
local terms energy: -184.850084
where:
bonds (distance) C4'-P energy: -37.234
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -49.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -499.504375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.504375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.504375 (E_RNA)
where:
Base-Base interactions energy: -320.654
where: short stacking energy: -136.859
Base-Backbone interact. energy: 0.659
local terms energy: -179.508952
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -42.418
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -40.690
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: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -504.543752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.543752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.543752 (E_RNA)
where:
Base-Base interactions energy: -320.623
where: short stacking energy: -158.933
Base-Backbone interact. energy: -1.247
local terms energy: -182.673610
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -45.884
flat angles C4'-P-C4' energy: -42.441
flat angles P-C4'-P energy: -23.784
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: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -291.654564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.654564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.654564 (E_RNA)
where:
Base-Base interactions energy: -149.758
where: short stacking energy: -91.561
Base-Backbone interact. energy: -0.561
local terms energy: -141.335189
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -27.687
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -227.117710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.117710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.117710 (E_RNA)
where:
Base-Base interactions energy: -89.387
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.740
local terms energy: -136.990612
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -36.687
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -246.709245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.709245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.709245 (E_RNA)
where:
Base-Base interactions energy: -127.811
where: short stacking energy: -78.022
Base-Backbone interact. energy: 0.133
local terms energy: -119.031361
where:
bonds (distance) C4'-P energy: -31.683
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -187.961624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.961624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.961624 (E_RNA)
where:
Base-Base interactions energy: -67.462
where: short stacking energy: -43.946
Base-Backbone interact. energy: -0.550
local terms energy: -119.950023
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -168.241297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.241297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.241297 (E_RNA)
where:
Base-Base interactions energy: -62.370
where: short stacking energy: -48.031
Base-Backbone interact. energy: 0.111
local terms energy: -105.982115
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -631.272758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.272758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.272758 (E_RNA)
where:
Base-Base interactions energy: -412.528
where: short stacking energy: -190.989
Base-Backbone interact. energy: 0.404
local terms energy: -219.148869
where:
bonds (distance) C4'-P energy: -39.611
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -45.344
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: -55.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -594.562319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.562319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.562319 (E_RNA)
where:
Base-Base interactions energy: -393.099
where: short stacking energy: -185.412
Base-Backbone interact. energy: -0.333
local terms energy: -201.130419
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -41.092
flat angles C4'-P-C4' energy: -44.249
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -53.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -529.040719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.040719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.040719 (E_RNA)
where:
Base-Base interactions energy: -339.073
where: short stacking energy: -169.357
Base-Backbone interact. energy: -0.796
local terms energy: -189.171731
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -40.153
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -51.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -564.772092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.772092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.772092 (E_RNA)
where:
Base-Base interactions energy: -385.736
where: short stacking energy: -159.146
Base-Backbone interact. energy: 0.337
local terms energy: -179.373355
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -45.676
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -44.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -503.850360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.850360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.850360 (E_RNA)
where:
Base-Base interactions energy: -323.864
where: short stacking energy: -153.811
Base-Backbone interact. energy: -0.257
local terms energy: -179.729439
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -44.384
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -37.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -278.458998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.458998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.458998 (E_RNA)
where:
Base-Base interactions energy: -148.476
where: short stacking energy: -89.736
Base-Backbone interact. energy: -0.975
local terms energy: -129.008368
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -243.521685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.521685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.521685 (E_RNA)
where:
Base-Base interactions energy: -98.432
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.290
local terms energy: -144.799444
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -23.517
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: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -196.792221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.792221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.792221 (E_RNA)
where:
Base-Base interactions energy: -76.887
where: short stacking energy: -59.156
Base-Backbone interact. energy: 0.969
local terms energy: -120.873730
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -178.489475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.489475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.489475 (E_RNA)
where:
Base-Base interactions energy: -63.637
where: short stacking energy: -61.464
Base-Backbone interact. energy: -1.141
local terms energy: -113.711899
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -37.112
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -177.600071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.600071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.600071 (E_RNA)
where:
Base-Base interactions energy: -54.459
where: short stacking energy: -44.069
Base-Backbone interact. energy: 0.443
local terms energy: -123.584464
where:
bonds (distance) C4'-P energy: -38.488
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -633.574161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.574161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.574161 (E_RNA)
where:
Base-Base interactions energy: -414.397
where: short stacking energy: -189.144
Base-Backbone interact. energy: -0.130
local terms energy: -219.046807
where:
bonds (distance) C4'-P energy: -38.903
bonds (distance) P-C4' energy: -40.215
flat angles C4'-P-C4' energy: -46.963
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: -55.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -574.438763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.438763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.438763 (E_RNA)
where:
Base-Base interactions energy: -371.036
where: short stacking energy: -170.318
Base-Backbone interact. energy: 0.096
local terms energy: -203.498567
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -44.977
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -53.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -558.941820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.941820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.941820 (E_RNA)
where:
Base-Base interactions energy: -354.211
where: short stacking energy: -148.512
Base-Backbone interact. energy: -1.652
local terms energy: -203.078907
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -42.242
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -48.665
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: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -510.074590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.074590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.074590 (E_RNA)
where:
Base-Base interactions energy: -325.817
where: short stacking energy: -137.611
Base-Backbone interact. energy: -2.361
local terms energy: -181.896559
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -37.682
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -24.629
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: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -482.562482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.562482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.562482 (E_RNA)
where:
Base-Base interactions energy: -325.127
where: short stacking energy: -142.286
Base-Backbone interact. energy: -1.074
local terms energy: -156.361279
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -37.954
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -33.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -213.400124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.400124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.400124 (E_RNA)
where:
Base-Base interactions energy: -71.013
where: short stacking energy: -60.381
Base-Backbone interact. energy: 0.410
local terms energy: -142.797171
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -29.901
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -252.416583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.416583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.416583 (E_RNA)
where:
Base-Base interactions energy: -126.644
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.232
local terms energy: -125.540351
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -188.560228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.560228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.560228 (E_RNA)
where:
Base-Base interactions energy: -68.572
where: short stacking energy: -55.291
Base-Backbone interact. energy: 0.426
local terms energy: -120.414341
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -27.981
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -0.735
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: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -170.390513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.390513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.390513 (E_RNA)
where:
Base-Base interactions energy: -50.203
where: short stacking energy: -46.974
Base-Backbone interact. energy: -0.479
local terms energy: -119.708187
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -34.907
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -189.249455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.249455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.249455 (E_RNA)
where:
Base-Base interactions energy: -62.866
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.477
local terms energy: -125.906404
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -39.165
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -627.256117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.256117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.256117 (E_RNA)
where:
Base-Base interactions energy: -415.908
where: short stacking energy: -183.916
Base-Backbone interact. energy: -0.916
local terms energy: -210.432075
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -47.462
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -48.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -578.534706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.534706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.534706 (E_RNA)
where:
Base-Base interactions energy: -384.793
where: short stacking energy: -163.885
Base-Backbone interact. energy: -0.383
local terms energy: -193.358792
where:
bonds (distance) C4'-P energy: -40.637
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -50.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -539.555233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.555233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.555233 (E_RNA)
where:
Base-Base interactions energy: -349.139
where: short stacking energy: -160.690
Base-Backbone interact. energy: -1.621
local terms energy: -188.795910
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -43.973
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -25.627
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -510.116775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.116775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.116775 (E_RNA)
where:
Base-Base interactions energy: -326.313
where: short stacking energy: -154.123
Base-Backbone interact. energy: -0.890
local terms energy: -182.914086
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -495.004003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.004003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.004003 (E_RNA)
where:
Base-Base interactions energy: -322.217
where: short stacking energy: -148.983
Base-Backbone interact. energy: -0.153
local terms energy: -172.634442
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -29.371
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -41.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -244.061629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.061629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.061629 (E_RNA)
where:
Base-Base interactions energy: -118.562
where: short stacking energy: -74.674
Base-Backbone interact. energy: 1.880
local terms energy: -127.378946
where:
bonds (distance) C4'-P energy: -40.989
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -224.055666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.055666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.055666 (E_RNA)
where:
Base-Base interactions energy: -84.912
where: short stacking energy: -63.262
Base-Backbone interact. energy: -1.254
local terms energy: -137.889445
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -193.019001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.019001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.019001 (E_RNA)
where:
Base-Base interactions energy: -68.911
where: short stacking energy: -60.019
Base-Backbone interact. energy: 1.591
local terms energy: -125.698469
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -45.601
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -9.433
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: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -195.420626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.420626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.420626 (E_RNA)
where:
Base-Base interactions energy: -71.214
where: short stacking energy: -52.463
Base-Backbone interact. energy: 0.703
local terms energy: -124.909796
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -175.323294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.323294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.323294 (E_RNA)
where:
Base-Base interactions energy: -50.702
where: short stacking energy: -42.324
Base-Backbone interact. energy: 0.064
local terms energy: -124.685448
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -35.327
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -640.148154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.148154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.148154 (E_RNA)
where:
Base-Base interactions energy: -425.513
where: short stacking energy: -194.420
Base-Backbone interact. energy: -0.084
local terms energy: -214.550773
where:
bonds (distance) C4'-P energy: -37.222
bonds (distance) P-C4' energy: -41.907
flat angles C4'-P-C4' energy: -46.248
flat angles P-C4'-P energy: -33.261
tors. eta vs tors. theta energy: -55.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -559.108696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.108696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.108696 (E_RNA)
where:
Base-Base interactions energy: -365.486
where: short stacking energy: -147.420
Base-Backbone interact. energy: -0.644
local terms energy: -192.978841
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -44.355
flat angles C4'-P-C4' energy: -39.418
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -43.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -559.042682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.042682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.042682 (E_RNA)
where:
Base-Base interactions energy: -359.683
where: short stacking energy: -153.598
Base-Backbone interact. energy: -0.224
local terms energy: -199.135548
where:
bonds (distance) C4'-P energy: -41.930
bonds (distance) P-C4' energy: -37.397
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -47.150
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: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -530.895300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.895300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.895300 (E_RNA)
where:
Base-Base interactions energy: -331.542
where: short stacking energy: -155.531
Base-Backbone interact. energy: -0.100
local terms energy: -199.253111
where:
bonds (distance) C4'-P energy: -41.989
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -44.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -474.483200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.483200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.483200 (E_RNA)
where:
Base-Base interactions energy: -317.097
where: short stacking energy: -141.286
Base-Backbone interact. energy: 1.957
local terms energy: -159.344032
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -240.809444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.809444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.809444 (E_RNA)
where:
Base-Base interactions energy: -103.748
where: short stacking energy: -83.720
Base-Backbone interact. energy: 0.396
local terms energy: -137.457117
where:
bonds (distance) C4'-P energy: -32.069
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -38.536
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -228.731223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731223 (E_RNA)
where:
Base-Base interactions energy: -90.913
where: short stacking energy: -60.659
Base-Backbone interact. energy: 1.055
local terms energy: -138.873305
where:
bonds (distance) C4'-P energy: -39.095
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -4.076
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: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -213.733018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.733018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.733018 (E_RNA)
where:
Base-Base interactions energy: -107.072
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.065
local terms energy: -106.596493
where:
bonds (distance) C4'-P energy: -35.255
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -196.281428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.281428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.281428 (E_RNA)
where:
Base-Base interactions energy: -86.450
where: short stacking energy: -49.261
Base-Backbone interact. energy: -1.438
local terms energy: -108.393224
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -31.810
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -28.127
tors. eta vs tors. theta energy: 5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -170.304716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.304716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.304716 (E_RNA)
where:
Base-Base interactions energy: -51.259
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.477
local terms energy: -118.568432
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -37.782
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -2.546
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: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -626.712842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.712842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.712842 (E_RNA)
where:
Base-Base interactions energy: -414.980
where: short stacking energy: -199.079
Base-Backbone interact. energy: -0.016
local terms energy: -211.716816
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -45.454
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -56.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -582.016707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.016707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.016707 (E_RNA)
where:
Base-Base interactions energy: -385.061
where: short stacking energy: -175.213
Base-Backbone interact. energy: -0.384
local terms energy: -196.571028
where:
bonds (distance) C4'-P energy: -42.824
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -46.081
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: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -561.030899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.030899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.030899 (E_RNA)
where:
Base-Base interactions energy: -353.363
where: short stacking energy: -175.900
Base-Backbone interact. energy: -0.082
local terms energy: -207.585970
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -37.700
flat angles C4'-P-C4' energy: -44.850
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -57.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -548.870619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.870619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.870619 (E_RNA)
where:
Base-Base interactions energy: -365.242
where: short stacking energy: -180.280
Base-Backbone interact. energy: -0.557
local terms energy: -183.071584
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -40.528
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -466.567354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.567354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.567354 (E_RNA)
where:
Base-Base interactions energy: -296.675
where: short stacking energy: -127.774
Base-Backbone interact. energy: 0.200
local terms energy: -170.092338
where:
bonds (distance) C4'-P energy: -36.797
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -35.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -304.128337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.128337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.128337 (E_RNA)
where:
Base-Base interactions energy: -159.762
where: short stacking energy: -98.879
Base-Backbone interact. energy: -0.244
local terms energy: -144.122310
where:
bonds (distance) C4'-P energy: -34.710
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -237.734940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.734940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.734940 (E_RNA)
where:
Base-Base interactions energy: -115.568
where: short stacking energy: -78.339
Base-Backbone interact. energy: -1.429
local terms energy: -120.737345
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -199.258938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.258938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.258938 (E_RNA)
where:
Base-Base interactions energy: -73.284
where: short stacking energy: -42.664
Base-Backbone interact. energy: -0.825
local terms energy: -125.149376
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -38.471
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -184.483102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483102 (E_RNA)
where:
Base-Base interactions energy: -86.873
where: short stacking energy: -50.425
Base-Backbone interact. energy: 0.928
local terms energy: -98.537678
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: 4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -173.201734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.201734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.201734 (E_RNA)
where:
Base-Base interactions energy: -65.661
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.518
local terms energy: -107.023331
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: 4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -626.801631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.801631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.801631 (E_RNA)
where:
Base-Base interactions energy: -419.894
where: short stacking energy: -193.002
Base-Backbone interact. energy: -1.052
local terms energy: -205.855599
where:
bonds (distance) C4'-P energy: -41.189
bonds (distance) P-C4' energy: -41.024
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -34.391
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -579.493316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.493316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.493316 (E_RNA)
where:
Base-Base interactions energy: -377.699
where: short stacking energy: -172.556
Base-Backbone interact. energy: -0.271
local terms energy: -201.522783
where:
bonds (distance) C4'-P energy: -40.514
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -30.490
tors. eta vs tors. theta energy: -54.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -587.551935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.551935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.551935 (E_RNA)
where:
Base-Base interactions energy: -402.789
where: short stacking energy: -175.187
Base-Backbone interact. energy: -0.350
local terms energy: -184.412941
where:
bonds (distance) C4'-P energy: -41.448
bonds (distance) P-C4' energy: -36.746
flat angles C4'-P-C4' energy: -42.309
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -43.067
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -518.044030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.044030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.044030 (E_RNA)
where:
Base-Base interactions energy: -338.449
where: short stacking energy: -172.348
Base-Backbone interact. energy: -0.132
local terms energy: -179.462653
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -41.252
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: -37.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -465.782870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.782870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.782870 (E_RNA)
where:
Base-Base interactions energy: -308.881
where: short stacking energy: -116.790
Base-Backbone interact. energy: -0.888
local terms energy: -156.014196
where:
bonds (distance) C4'-P energy: -36.673
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -37.027
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -33.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -273.900640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.900640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.900640 (E_RNA)
where:
Base-Base interactions energy: -138.362
where: short stacking energy: -91.368
Base-Backbone interact. energy: 2.371
local terms energy: -137.909484
where:
bonds (distance) C4'-P energy: -36.459
bonds (distance) P-C4' energy: -40.606
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -12.001
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -249.245685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.245685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.245685 (E_RNA)
where:
Base-Base interactions energy: -107.899
where: short stacking energy: -64.072
Base-Backbone interact. energy: 0.500
local terms energy: -141.846940
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -39.509
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -270.734820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.734820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.734820 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -82.854
Base-Backbone interact. energy: -0.205
local terms energy: -133.997352
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -35.564
flat angles P-C4'-P energy: -15.926
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -198.198873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.198873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.198873 (E_RNA)
where:
Base-Base interactions energy: -89.883
where: short stacking energy: -64.106
Base-Backbone interact. energy: 0.238
local terms energy: -108.553824
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -169.802462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.802462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.802462 (E_RNA)
where:
Base-Base interactions energy: -62.394
where: short stacking energy: -35.289
Base-Backbone interact. energy: -1.657
local terms energy: -105.751484
where:
bonds (distance) C4'-P energy: -28.507
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -24.767
tors. eta vs tors. theta energy: -0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -617.495408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.495408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.495408 (E_RNA)
where:
Base-Base interactions energy: -408.353
where: short stacking energy: -182.130
Base-Backbone interact. energy: 0.265
local terms energy: -209.406677
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -38.324
flat angles C4'-P-C4' energy: -46.670
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -54.383
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: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -609.868699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.868699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.868699 (E_RNA)
where:
Base-Base interactions energy: -408.901
where: short stacking energy: -176.288
Base-Backbone interact. energy: -1.308
local terms energy: -199.659159
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -45.199
flat angles C4'-P-C4' energy: -36.863
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -56.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -538.578556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.578556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.578556 (E_RNA)
where:
Base-Base interactions energy: -345.782
where: short stacking energy: -166.600
Base-Backbone interact. energy: 0.316
local terms energy: -193.112874
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -43.901
flat angles C4'-P-C4' energy: -44.149
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -38.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -544.339017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.339017 (E_RNA)
where:
Base-Base interactions energy: -348.103
where: short stacking energy: -163.804
Base-Backbone interact. energy: 0.462
local terms energy: -196.698678
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -38.262
flat angles C4'-P-C4' energy: -48.115
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -44.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -489.737742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.737742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.737742 (E_RNA)
where:
Base-Base interactions energy: -306.819
where: short stacking energy: -127.990
Base-Backbone interact. energy: -1.742
local terms energy: -181.176586
where:
bonds (distance) C4'-P energy: -39.622
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -298.760597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.760597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.760597 (E_RNA)
where:
Base-Base interactions energy: -154.880
where: short stacking energy: -80.015
Base-Backbone interact. energy: -0.327
local terms energy: -143.553816
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -36.778
flat angles C4'-P-C4' energy: -35.325
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -12.243
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -260.469289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.469289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.469289 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -74.121
Base-Backbone interact. energy: 0.190
local terms energy: -119.637598
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -296.095546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.095546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.095546 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -87.570
Base-Backbone interact. energy: 1.860
local terms energy: -154.140791
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -38.605
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -190.020450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020450 (E_RNA)
where:
Base-Base interactions energy: -55.527
where: short stacking energy: -48.885
Base-Backbone interact. energy: 0.306
local terms energy: -134.800176
where:
bonds (distance) C4'-P energy: -40.585
bonds (distance) P-C4' energy: -36.724
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -174.395531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.395531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.395531 (E_RNA)
where:
Base-Base interactions energy: -66.476
where: short stacking energy: -59.143
Base-Backbone interact. energy: -1.812
local terms energy: -106.106822
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -623.684558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.684558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.684558 (E_RNA)
where:
Base-Base interactions energy: -421.553
where: short stacking energy: -177.032
Base-Backbone interact. energy: -0.965
local terms energy: -201.166501
where:
bonds (distance) C4'-P energy: -38.324
bonds (distance) P-C4' energy: -35.868
flat angles C4'-P-C4' energy: -44.658
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -54.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -584.274954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.274954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.274954 (E_RNA)
where:
Base-Base interactions energy: -389.146
where: short stacking energy: -183.004
Base-Backbone interact. energy: -0.306
local terms energy: -194.823545
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: -50.998
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: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -532.718961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.718961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.718961 (E_RNA)
where:
Base-Base interactions energy: -353.054
where: short stacking energy: -151.560
Base-Backbone interact. energy: 0.319
local terms energy: -179.984228
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -42.739
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -35.273
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -488.356218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.356218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.356218 (E_RNA)
where:
Base-Base interactions energy: -303.787
where: short stacking energy: -139.631
Base-Backbone interact. energy: -0.420
local terms energy: -184.149363
where:
bonds (distance) C4'-P energy: -41.155
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -32.598
tors. eta vs tors. theta energy: -37.508
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -539.921871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.921871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.921871 (E_RNA)
where:
Base-Base interactions energy: -358.688
where: short stacking energy: -170.922
Base-Backbone interact. energy: -0.106
local terms energy: -181.127797
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -40.459
flat angles P-C4'-P energy: -29.145
tors. eta vs tors. theta energy: -52.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -285.585988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.585988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.585988 (E_RNA)
where:
Base-Base interactions energy: -141.546
where: short stacking energy: -80.664
Base-Backbone interact. energy: -1.165
local terms energy: -142.875329
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -39.037
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -263.075491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.075491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.075491 (E_RNA)
where:
Base-Base interactions energy: -121.523
where: short stacking energy: -87.943
Base-Backbone interact. energy: 2.837
local terms energy: -144.389765
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -42.814
flat angles C4'-P-C4' energy: -32.244
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -345.699175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.699175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.699175 (E_RNA)
where:
Base-Base interactions energy: -200.094
where: short stacking energy: -103.069
Base-Backbone interact. energy: 0.477
local terms energy: -146.082412
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -180.006511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.006511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.006511 (E_RNA)
where:
Base-Base interactions energy: -58.139
where: short stacking energy: -50.782
Base-Backbone interact. energy: -1.027
local terms energy: -120.840347
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -38.559
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -171.426121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.426121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.426121 (E_RNA)
where:
Base-Base interactions energy: -63.464
where: short stacking energy: -52.042
Base-Backbone interact. energy: 0.305
local terms energy: -108.266716
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: 3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -620.771748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.771748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.771748 (E_RNA)
where:
Base-Base interactions energy: -403.374
where: short stacking energy: -167.386
Base-Backbone interact. energy: -1.373
local terms energy: -216.024672
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -42.351
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -57.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -581.367313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.367313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.367313 (E_RNA)
where:
Base-Base interactions energy: -386.233
where: short stacking energy: -176.093
Base-Backbone interact. energy: -0.597
local terms energy: -194.537247
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -39.161
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -44.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -512.054454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.054454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.054454 (E_RNA)
where:
Base-Base interactions energy: -326.387
where: short stacking energy: -143.250
Base-Backbone interact. energy: -1.159
local terms energy: -184.509188
where:
bonds (distance) C4'-P energy: -43.023
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -40.242
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -524.072750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.072750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.072750 (E_RNA)
where:
Base-Base interactions energy: -340.816
where: short stacking energy: -157.461
Base-Backbone interact. energy: -0.636
local terms energy: -182.620634
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -549.981413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.981413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.981413 (E_RNA)
where:
Base-Base interactions energy: -368.144
where: short stacking energy: -157.651
Base-Backbone interact. energy: 1.842
local terms energy: -183.678475
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -38.696
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -52.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -299.708875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.708875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.708875 (E_RNA)
where:
Base-Base interactions energy: -158.279
where: short stacking energy: -108.654
Base-Backbone interact. energy: -1.166
local terms energy: -140.263417
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -43.662
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -323.881302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.881302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.881302 (E_RNA)
where:
Base-Base interactions energy: -168.999
where: short stacking energy: -89.514
Base-Backbone interact. energy: -0.083
local terms energy: -154.798978
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -41.779
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -231.401174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.401174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.401174 (E_RNA)
where:
Base-Base interactions energy: -106.567
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.357
local terms energy: -124.477241
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -189.508304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.508304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.508304 (E_RNA)
where:
Base-Base interactions energy: -65.891
where: short stacking energy: -60.793
Base-Backbone interact. energy: 2.833
local terms energy: -126.449919
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -40.181
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -186.187117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.187117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.187117 (E_RNA)
where:
Base-Base interactions energy: -55.362
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.643
local terms energy: -130.182059
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -38.345
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -5.293
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -605.774384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.774384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.774384 (E_RNA)
where:
Base-Base interactions energy: -399.289
where: short stacking energy: -180.015
Base-Backbone interact. energy: -0.268
local terms energy: -206.218236
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -44.466
flat angles C4'-P-C4' energy: -41.483
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -55.699
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: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -576.963617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.963617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.963617 (E_RNA)
where:
Base-Base interactions energy: -370.325
where: short stacking energy: -178.274
Base-Backbone interact. energy: -1.166
local terms energy: -205.472688
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -55.147
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: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -512.894348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.894348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.894348 (E_RNA)
where:
Base-Base interactions energy: -333.700
where: short stacking energy: -137.812
Base-Backbone interact. energy: -1.197
local terms energy: -177.997388
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -43.274
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -537.532169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.532169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.532169 (E_RNA)
where:
Base-Base interactions energy: -350.713
where: short stacking energy: -138.330
Base-Backbone interact. energy: -0.255
local terms energy: -186.564695
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -44.605
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -34.620
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: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -519.490051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.490051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.490051 (E_RNA)
where:
Base-Base interactions energy: -334.070
where: short stacking energy: -160.575
Base-Backbone interact. energy: -0.346
local terms energy: -185.073991
where:
bonds (distance) C4'-P energy: -36.341
bonds (distance) P-C4' energy: -38.511
flat angles C4'-P-C4' energy: -40.226
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -45.415
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: 31
Temperature: 1.150000
Total energy: -282.257831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.257831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.257831 (E_RNA)
where:
Base-Base interactions energy: -149.820
where: short stacking energy: -87.143
Base-Backbone interact. energy: -0.434
local terms energy: -132.004411
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -14.690
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -319.401172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.401172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.401172 (E_RNA)
where:
Base-Base interactions energy: -176.160
where: short stacking energy: -87.143
Base-Backbone interact. energy: 0.806
local terms energy: -144.046952
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -16.325
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: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -215.612573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612573 (E_RNA)
where:
Base-Base interactions energy: -102.310
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.133
local terms energy: -113.169725
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: 1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -198.047752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.047752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.047752 (E_RNA)
where:
Base-Base interactions energy: -66.062
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.462
local terms energy: -131.523400
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -174.110354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.110354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.110354 (E_RNA)
where:
Base-Base interactions energy: -55.147
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.256
local terms energy: -118.707467
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -40.900
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: 2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -636.401959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.401959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.401959 (E_RNA)
where:
Base-Base interactions energy: -422.337
where: short stacking energy: -185.458
Base-Backbone interact. energy: -0.295
local terms energy: -213.770149
where:
bonds (distance) C4'-P energy: -39.203
bonds (distance) P-C4' energy: -38.379
flat angles C4'-P-C4' energy: -43.406
flat angles P-C4'-P energy: -30.481
tors. eta vs tors. theta energy: -62.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -593.344923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.344923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.344923 (E_RNA)
where:
Base-Base interactions energy: -383.921
where: short stacking energy: -181.513
Base-Backbone interact. energy: -0.250
local terms energy: -209.173896
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -41.222
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -52.700
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -563.499863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.499863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.499863 (E_RNA)
where:
Base-Base interactions energy: -374.429
where: short stacking energy: -160.661
Base-Backbone interact. energy: -0.564
local terms energy: -188.506578
where:
bonds (distance) C4'-P energy: -38.450
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -44.973
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -514.606273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.606273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.606273 (E_RNA)
where:
Base-Base interactions energy: -333.784
where: short stacking energy: -148.890
Base-Backbone interact. energy: -0.316
local terms energy: -180.505972
where:
bonds (distance) C4'-P energy: -40.498
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -29.266
tors. eta vs tors. theta energy: -42.416
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: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -508.932224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.932224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.932224 (E_RNA)
where:
Base-Base interactions energy: -328.353
where: short stacking energy: -140.493
Base-Backbone interact. energy: -1.890
local terms energy: -178.688886
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -38.945
flat angles P-C4'-P energy: -35.738
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: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -312.635956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.635956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.635956 (E_RNA)
where:
Base-Base interactions energy: -166.919
where: short stacking energy: -103.722
Base-Backbone interact. energy: -0.314
local terms energy: -145.402797
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -26.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -290.314168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.314168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.314168 (E_RNA)
where:
Base-Base interactions energy: -160.279
where: short stacking energy: -95.856
Base-Backbone interact. energy: 0.671
local terms energy: -130.706764
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -196.849721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.849721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.849721 (E_RNA)
where:
Base-Base interactions energy: -68.069
where: short stacking energy: -58.057
Base-Backbone interact. energy: 2.040
local terms energy: -130.820513
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: 5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -212.598484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.598484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.598484 (E_RNA)
where:
Base-Base interactions energy: -86.704
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.184
local terms energy: -125.709808
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -47.275
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -172.847484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.847484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.847484 (E_RNA)
where:
Base-Base interactions energy: -58.683
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.873
local terms energy: -113.291108
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: 3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -630.364537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.364537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.364537 (E_RNA)
where:
Base-Base interactions energy: -427.422
where: short stacking energy: -190.373
Base-Backbone interact. energy: 1.325
local terms energy: -204.267498
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -47.078
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -52.719
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: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -563.649025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.649025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.649025 (E_RNA)
where:
Base-Base interactions energy: -363.397
where: short stacking energy: -162.990
Base-Backbone interact. energy: -1.453
local terms energy: -198.798860
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -43.481
flat angles C4'-P-C4' energy: -42.513
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -51.125
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: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -576.697292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.697292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.697292 (E_RNA)
where:
Base-Base interactions energy: -390.504
where: short stacking energy: -187.045
Base-Backbone interact. energy: 0.827
local terms energy: -187.020744
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -29.296
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -53.798
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: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -532.652810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.652810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.652810 (E_RNA)
where:
Base-Base interactions energy: -339.233
where: short stacking energy: -175.510
Base-Backbone interact. energy: -0.097
local terms energy: -193.322061
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -44.009
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -54.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -484.674815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.674815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.674815 (E_RNA)
where:
Base-Base interactions energy: -319.020
where: short stacking energy: -137.284
Base-Backbone interact. energy: -1.400
local terms energy: -164.255180
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -37.347
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -315.666952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.666952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.666952 (E_RNA)
where:
Base-Base interactions energy: -173.706
where: short stacking energy: -95.741
Base-Backbone interact. energy: 4.662
local terms energy: -146.623083
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -18.878
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: 33
Temperature: 1.200000
Total energy: -338.984527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.984527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.984527 (E_RNA)
where:
Base-Base interactions energy: -186.830
where: short stacking energy: -92.457
Base-Backbone interact. energy: -1.759
local terms energy: -150.394918
where:
bonds (distance) C4'-P energy: -36.521
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -34.558
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -192.707025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.707025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.707025 (E_RNA)
where:
Base-Base interactions energy: -99.697
where: short stacking energy: -60.569
Base-Backbone interact. energy: 6.420
local terms energy: -99.430185
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: 14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -188.708544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.708544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.708544 (E_RNA)
where:
Base-Base interactions energy: -68.787
where: short stacking energy: -52.433
Base-Backbone interact. energy: 1.262
local terms energy: -121.183376
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -169.826769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.826769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.826769 (E_RNA)
where:
Base-Base interactions energy: -60.693
where: short stacking energy: -44.328
Base-Backbone interact. energy: -0.745
local terms energy: -108.389034
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: 7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -630.990799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.990799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.990799 (E_RNA)
where:
Base-Base interactions energy: -415.842
where: short stacking energy: -182.258
Base-Backbone interact. energy: -0.977
local terms energy: -214.171787
where:
bonds (distance) C4'-P energy: -41.674
bonds (distance) P-C4' energy: -40.060
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -57.725
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: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -584.983562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.983562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.983562 (E_RNA)
where:
Base-Base interactions energy: -388.130
where: short stacking energy: -161.923
Base-Backbone interact. energy: -0.031
local terms energy: -196.822606
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -41.876
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -25.502
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -541.729408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.729408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.729408 (E_RNA)
where:
Base-Base interactions energy: -348.980
where: short stacking energy: -168.962
Base-Backbone interact. energy: -0.147
local terms energy: -192.602066
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -47.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -559.885311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.885311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.885311 (E_RNA)
where:
Base-Base interactions energy: -363.437
where: short stacking energy: -166.808
Base-Backbone interact. energy: -1.245
local terms energy: -195.203928
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -32.176
tors. eta vs tors. theta energy: -52.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -495.498374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.498374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.498374 (E_RNA)
where:
Base-Base interactions energy: -326.222
where: short stacking energy: -137.088
Base-Backbone interact. energy: -1.471
local terms energy: -167.805429
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -41.250
flat angles C4'-P-C4' energy: -41.342
flat angles P-C4'-P energy: -20.252
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: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -347.763607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.763607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.763607 (E_RNA)
where:
Base-Base interactions energy: -194.161
where: short stacking energy: -105.851
Base-Backbone interact. energy: 0.616
local terms energy: -154.218956
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -29.662
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -289.731977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.731977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.731977 (E_RNA)
where:
Base-Base interactions energy: -160.764
where: short stacking energy: -81.803
Base-Backbone interact. energy: -1.972
local terms energy: -126.995902
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -10.192
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: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -189.449272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.449272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.449272 (E_RNA)
where:
Base-Base interactions energy: -69.617
where: short stacking energy: -52.393
Base-Backbone interact. energy: -0.489
local terms energy: -119.343325
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: 4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -178.828781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.828781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.828781 (E_RNA)
where:
Base-Base interactions energy: -58.297
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.312
local terms energy: -120.219814
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -164.718802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.718802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.718802 (E_RNA)
where:
Base-Base interactions energy: -49.486
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.529
local terms energy: -114.703953
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -641.753347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.753347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.753347 (E_RNA)
where:
Base-Base interactions energy: -422.796
where: short stacking energy: -182.693
Base-Backbone interact. energy: 0.758
local terms energy: -219.715899
where:
bonds (distance) C4'-P energy: -42.942
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -46.166
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -56.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -573.243989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.243989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.243989 (E_RNA)
where:
Base-Base interactions energy: -375.387
where: short stacking energy: -157.442
Base-Backbone interact. energy: 1.621
local terms energy: -199.477280
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -47.317
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: 35
Temperature: 1.000000
Total energy: -576.357306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.357306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.357306 (E_RNA)
where:
Base-Base interactions energy: -380.037
where: short stacking energy: -169.989
Base-Backbone interact. energy: -0.221
local terms energy: -196.099267
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -46.953
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: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -557.812557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.812557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.812557 (E_RNA)
where:
Base-Base interactions energy: -372.730
where: short stacking energy: -177.303
Base-Backbone interact. energy: -0.313
local terms energy: -184.768936
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -39.016
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -50.783
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: 35
Temperature: 1.100000
Total energy: -492.259144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.259144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.259144 (E_RNA)
where:
Base-Base interactions energy: -311.346
where: short stacking energy: -138.438
Base-Backbone interact. energy: 0.895
local terms energy: -181.808625
where:
bonds (distance) C4'-P energy: -41.355
bonds (distance) P-C4' energy: -34.757
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -39.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -352.382613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.382613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.382613 (E_RNA)
where:
Base-Base interactions energy: -199.093
where: short stacking energy: -98.035
Base-Backbone interact. energy: -1.512
local terms energy: -151.777130
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -35.237
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -279.345585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.345585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.345585 (E_RNA)
where:
Base-Base interactions energy: -158.988
where: short stacking energy: -92.736
Base-Backbone interact. energy: 1.023
local terms energy: -121.381244
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -35.875
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -224.994132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.994132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.994132 (E_RNA)
where:
Base-Base interactions energy: -97.734
where: short stacking energy: -65.112
Base-Backbone interact. energy: 0.141
local terms energy: -127.401440
where:
bonds (distance) C4'-P energy: -35.500
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -11.037
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: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -200.326087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.326087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.326087 (E_RNA)
where:
Base-Base interactions energy: -88.256
where: short stacking energy: -43.689
Base-Backbone interact. energy: -2.250
local terms energy: -109.820139
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: 5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -166.885565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.885565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.885565 (E_RNA)
where:
Base-Base interactions energy: -58.963
where: short stacking energy: -48.541
Base-Backbone interact. energy: -0.035
local terms energy: -107.887057
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -651.765396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.765396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.765396 (E_RNA)
where:
Base-Base interactions energy: -438.683
where: short stacking energy: -193.240
Base-Backbone interact. energy: 0.049
local terms energy: -213.131788
where:
bonds (distance) C4'-P energy: -45.076
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -32.496
tors. eta vs tors. theta energy: -56.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -583.874906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.874906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.874906 (E_RNA)
where:
Base-Base interactions energy: -386.301
where: short stacking energy: -153.272
Base-Backbone interact. energy: -0.963
local terms energy: -196.610934
where:
bonds (distance) C4'-P energy: -41.033
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -38.893
flat angles P-C4'-P energy: -29.105
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: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -584.287503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.287503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.287503 (E_RNA)
where:
Base-Base interactions energy: -385.042
where: short stacking energy: -184.361
Base-Backbone interact. energy: -1.392
local terms energy: -197.853556
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -44.248
flat angles P-C4'-P energy: -29.624
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: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -530.751061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.751061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.751061 (E_RNA)
where:
Base-Base interactions energy: -344.163
where: short stacking energy: -158.586
Base-Backbone interact. energy: -1.127
local terms energy: -185.460723
where:
bonds (distance) C4'-P energy: -43.535
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -44.315
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: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -509.257297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.257297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.257297 (E_RNA)
where:
Base-Base interactions energy: -343.374
where: short stacking energy: -146.523
Base-Backbone interact. energy: -2.018
local terms energy: -163.864994
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -368.661419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.661419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.661419 (E_RNA)
where:
Base-Base interactions energy: -205.074
where: short stacking energy: -103.823
Base-Backbone interact. energy: -0.954
local terms energy: -162.633758
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -39.872
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -218.679117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.679117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.679117 (E_RNA)
where:
Base-Base interactions energy: -93.049
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.383
local terms energy: -125.246790
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -241.823328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.823328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.823328 (E_RNA)
where:
Base-Base interactions energy: -113.616
where: short stacking energy: -68.649
Base-Backbone interact. energy: -1.045
local terms energy: -127.162860
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: 1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -184.791544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.791544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791544 (E_RNA)
where:
Base-Base interactions energy: -65.337
where: short stacking energy: -48.904
Base-Backbone interact. energy: 0.718
local terms energy: -120.172161
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -188.318793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.318793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.318793 (E_RNA)
where:
Base-Base interactions energy: -77.276
where: short stacking energy: -44.669
Base-Backbone interact. energy: 0.748
local terms energy: -111.791006
where:
bonds (distance) C4'-P energy: -33.643
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: 3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -639.750683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.750683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.750683 (E_RNA)
where:
Base-Base interactions energy: -431.804
where: short stacking energy: -175.079
Base-Backbone interact. energy: 0.863
local terms energy: -208.810293
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -46.234
flat angles C4'-P-C4' energy: -34.937
flat angles P-C4'-P energy: -30.153
tors. eta vs tors. theta energy: -56.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -614.893334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.893334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.893334 (E_RNA)
where:
Base-Base interactions energy: -396.801
where: short stacking energy: -185.533
Base-Backbone interact. energy: 0.700
local terms energy: -218.792337
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -54.353
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -552.481111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.481111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.481111 (E_RNA)
where:
Base-Base interactions energy: -367.056
where: short stacking energy: -162.605
Base-Backbone interact. energy: -0.158
local terms energy: -185.267875
where:
bonds (distance) C4'-P energy: -38.692
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -42.498
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -42.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -545.341454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.341454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.341454 (E_RNA)
where:
Base-Base interactions energy: -361.836
where: short stacking energy: -169.524
Base-Backbone interact. energy: -0.750
local terms energy: -182.756222
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -42.643
flat angles P-C4'-P energy: -21.022
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -525.185892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.185892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.185892 (E_RNA)
where:
Base-Base interactions energy: -353.518
where: short stacking energy: -149.210
Base-Backbone interact. energy: -1.156
local terms energy: -170.511800
where:
bonds (distance) C4'-P energy: -43.937
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -36.895
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: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -415.174947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.174947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.174947 (E_RNA)
where:
Base-Base interactions energy: -256.526
where: short stacking energy: -137.286
Base-Backbone interact. energy: -0.912
local terms energy: -157.737296
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -34.308
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -35.073
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: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -205.208437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.208437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.208437 (E_RNA)
where:
Base-Base interactions energy: -70.960
where: short stacking energy: -66.805
Base-Backbone interact. energy: -1.127
local terms energy: -133.121478
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -33.684
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -210.567724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.567724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.567724 (E_RNA)
where:
Base-Base interactions energy: -92.595
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.515
local terms energy: -117.457873
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -6.113
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: 37
Temperature: 1.300000
Total energy: -180.286495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.286495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.286495 (E_RNA)
where:
Base-Base interactions energy: -72.119
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.618
local terms energy: -107.549563
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: 3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -184.778077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.778077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.778077 (E_RNA)
where:
Base-Base interactions energy: -55.220
where: short stacking energy: -43.043
Base-Backbone interact. energy: 0.455
local terms energy: -130.013230
where:
bonds (distance) C4'-P energy: -33.480
bonds (distance) P-C4' energy: -45.296
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -0.123
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: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -643.713379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.713379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.713379 (E_RNA)
where:
Base-Base interactions energy: -434.750
where: short stacking energy: -193.872
Base-Backbone interact. energy: -0.848
local terms energy: -208.115315
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -41.565
flat angles C4'-P-C4' energy: -41.819
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -59.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -615.384528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.384528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.384528 (E_RNA)
where:
Base-Base interactions energy: -402.218
where: short stacking energy: -185.592
Base-Backbone interact. energy: 0.373
local terms energy: -213.539798
where:
bonds (distance) C4'-P energy: -40.639
bonds (distance) P-C4' energy: -42.273
flat angles C4'-P-C4' energy: -45.102
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -51.245
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -589.263758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.263758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.263758 (E_RNA)
where:
Base-Base interactions energy: -378.388
where: short stacking energy: -162.633
Base-Backbone interact. energy: -1.024
local terms energy: -209.851663
where:
bonds (distance) C4'-P energy: -42.183
bonds (distance) P-C4' energy: -42.184
flat angles C4'-P-C4' energy: -45.634
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -50.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -552.005309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.005309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.005309 (E_RNA)
where:
Base-Base interactions energy: -350.441
where: short stacking energy: -169.052
Base-Backbone interact. energy: -0.400
local terms energy: -201.164533
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -41.807
flat angles C4'-P-C4' energy: -43.672
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -51.874
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: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -526.230446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.230446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.230446 (E_RNA)
where:
Base-Base interactions energy: -345.728
where: short stacking energy: -154.833
Base-Backbone interact. energy: -1.266
local terms energy: -179.236619
where:
bonds (distance) C4'-P energy: -30.238
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -416.984587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.984587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.984587 (E_RNA)
where:
Base-Base interactions energy: -257.840
where: short stacking energy: -128.370
Base-Backbone interact. energy: -0.984
local terms energy: -158.160864
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -28.158
flat angles C4'-P-C4' energy: -35.015
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -32.872
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: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -208.388372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.388372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.388372 (E_RNA)
where:
Base-Base interactions energy: -75.357
where: short stacking energy: -63.937
Base-Backbone interact. energy: -0.064
local terms energy: -132.967863
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -45.921
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -198.836911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.836911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.836911 (E_RNA)
where:
Base-Base interactions energy: -93.631
where: short stacking energy: -69.770
Base-Backbone interact. energy: -1.933
local terms energy: -103.273028
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -2.691
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: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -199.081142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.081142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.081142 (E_RNA)
where:
Base-Base interactions energy: -75.167
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.192
local terms energy: -123.721632
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -34.694
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -8.112
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: 38
Temperature: 1.350000
Total energy: -167.050665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.050665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.050665 (E_RNA)
where:
Base-Base interactions energy: -64.066
where: short stacking energy: -54.149
Base-Backbone interact. energy: 0.029
local terms energy: -103.013852
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -651.177559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.177559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.177559 (E_RNA)
where:
Base-Base interactions energy: -445.178
where: short stacking energy: -185.235
Base-Backbone interact. energy: -0.885
local terms energy: -205.114853
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -37.647
flat angles C4'-P-C4' energy: -42.791
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -59.040
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: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -625.663893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.663893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.663893 (E_RNA)
where:
Base-Base interactions energy: -405.748
where: short stacking energy: -185.322
Base-Backbone interact. energy: -0.143
local terms energy: -219.772836
where:
bonds (distance) C4'-P energy: -35.058
bonds (distance) P-C4' energy: -41.798
flat angles C4'-P-C4' energy: -49.469
flat angles P-C4'-P energy: -31.617
tors. eta vs tors. theta energy: -61.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -589.522325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.522325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.522325 (E_RNA)
where:
Base-Base interactions energy: -389.981
where: short stacking energy: -172.278
Base-Backbone interact. energy: 0.392
local terms energy: -199.933787
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -38.225
flat angles C4'-P-C4' energy: -42.915
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -57.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -560.543781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.543781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.543781 (E_RNA)
where:
Base-Base interactions energy: -355.633
where: short stacking energy: -177.069
Base-Backbone interact. energy: -0.056
local terms energy: -204.853821
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -60.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -490.848870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.848870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.848870 (E_RNA)
where:
Base-Base interactions energy: -313.571
where: short stacking energy: -143.122
Base-Backbone interact. energy: -1.643
local terms energy: -175.635086
where:
bonds (distance) C4'-P energy: -36.613
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -19.864
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: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -455.571992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.571992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.571992 (E_RNA)
where:
Base-Base interactions energy: -278.892
where: short stacking energy: -139.857
Base-Backbone interact. energy: -1.495
local terms energy: -175.184701
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -41.561
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -43.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -205.506393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.506393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.506393 (E_RNA)
where:
Base-Base interactions energy: -86.718
where: short stacking energy: -67.854
Base-Backbone interact. energy: -1.288
local terms energy: -117.500480
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -195.320599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.320599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.320599 (E_RNA)
where:
Base-Base interactions energy: -97.495
where: short stacking energy: -63.031
Base-Backbone interact. energy: 2.995
local terms energy: -100.821037
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -207.328153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.328153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.328153 (E_RNA)
where:
Base-Base interactions energy: -80.452
where: short stacking energy: -64.261
Base-Backbone interact. energy: -1.899
local terms energy: -124.977189
where:
bonds (distance) C4'-P energy: -29.405
bonds (distance) P-C4' energy: -34.865
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -172.820786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.820786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.820786 (E_RNA)
where:
Base-Base interactions energy: -66.873
where: short stacking energy: -52.080
Base-Backbone interact. energy: 0.841
local terms energy: -106.788994
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -41.206
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -649.775173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.775173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.775173 (E_RNA)
where:
Base-Base interactions energy: -448.494
where: short stacking energy: -195.263
Base-Backbone interact. energy: -1.170
local terms energy: -200.111031
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -37.579
flat angles C4'-P-C4' energy: -46.043
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -61.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -619.191638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.191638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.191638 (E_RNA)
where:
Base-Base interactions energy: -414.700
where: short stacking energy: -181.752
Base-Backbone interact. energy: -0.138
local terms energy: -204.353718
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -42.746
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: -57.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -573.229889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.229889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.229889 (E_RNA)
where:
Base-Base interactions energy: -378.948
where: short stacking energy: -179.135
Base-Backbone interact. energy: -0.438
local terms energy: -193.844323
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -41.644
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -53.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -548.230537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.230537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.230537 (E_RNA)
where:
Base-Base interactions energy: -363.901
where: short stacking energy: -156.388
Base-Backbone interact. energy: -0.762
local terms energy: -183.567473
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -44.822
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -38.691
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: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -480.830475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.830475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.830475 (E_RNA)
where:
Base-Base interactions energy: -298.677
where: short stacking energy: -138.464
Base-Backbone interact. energy: -0.421
local terms energy: -181.733114
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -43.093
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -42.096
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: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -445.149480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.149480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.149480 (E_RNA)
where:
Base-Base interactions energy: -287.133
where: short stacking energy: -136.152
Base-Backbone interact. energy: 1.283
local terms energy: -159.299272
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -32.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -238.351642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.351642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.351642 (E_RNA)
where:
Base-Base interactions energy: -97.166
where: short stacking energy: -80.645
Base-Backbone interact. energy: -0.039
local terms energy: -141.147054
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -206.005410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005410 (E_RNA)
where:
Base-Base interactions energy: -81.992
where: short stacking energy: -58.099
Base-Backbone interact. energy: 2.493
local terms energy: -126.506165
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -38.598
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -197.616831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.616831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.616831 (E_RNA)
where:
Base-Base interactions energy: -81.449
where: short stacking energy: -63.217
Base-Backbone interact. energy: 0.736
local terms energy: -116.903899
where:
bonds (distance) C4'-P energy: -38.907
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: 6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -162.442444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.442444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.442444 (E_RNA)
where:
Base-Base interactions energy: -63.868
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.413
local terms energy: -98.161362
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -645.716503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.716503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.716503 (E_RNA)
where:
Base-Base interactions energy: -427.621
where: short stacking energy: -183.392
Base-Backbone interact. energy: -0.509
local terms energy: -217.586513
where:
bonds (distance) C4'-P energy: -42.113
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -45.386
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -57.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -638.506286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.506286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.506286 (E_RNA)
where:
Base-Base interactions energy: -431.098
where: short stacking energy: -188.593
Base-Backbone interact. energy: -1.003
local terms energy: -206.405876
where:
bonds (distance) C4'-P energy: -42.207
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -50.783
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -55.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -579.825865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.825865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.825865 (E_RNA)
where:
Base-Base interactions energy: -376.761
where: short stacking energy: -183.133
Base-Backbone interact. energy: -0.435
local terms energy: -202.630640
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -32.273
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -58.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -564.254989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.254989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.254989 (E_RNA)
where:
Base-Base interactions energy: -355.290
where: short stacking energy: -152.562
Base-Backbone interact. energy: -1.775
local terms energy: -207.189630
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -44.076
flat angles C4'-P-C4' energy: -42.335
flat angles P-C4'-P energy: -26.468
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: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -480.287080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.287080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.287080 (E_RNA)
where:
Base-Base interactions energy: -299.843
where: short stacking energy: -155.243
Base-Backbone interact. energy: 5.337
local terms energy: -185.781106
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -22.757
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: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -447.018103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.018103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.018103 (E_RNA)
where:
Base-Base interactions energy: -276.477
where: short stacking energy: -119.533
Base-Backbone interact. energy: -0.776
local terms energy: -169.764539
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -28.850
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: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -221.054567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.054567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.054567 (E_RNA)
where:
Base-Base interactions energy: -110.730
where: short stacking energy: -83.611
Base-Backbone interact. energy: -1.678
local terms energy: -108.646389
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -4.727
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: 41
Temperature: 1.250000
Total energy: -232.191169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.191169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.191169 (E_RNA)
where:
Base-Base interactions energy: -100.003
where: short stacking energy: -58.622
Base-Backbone interact. energy: -1.736
local terms energy: -130.452486
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: 3.966
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: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -186.225196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.225196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.225196 (E_RNA)
where:
Base-Base interactions energy: -59.934
where: short stacking energy: -59.102
Base-Backbone interact. energy: 3.276
local terms energy: -129.566789
where:
bonds (distance) C4'-P energy: -35.174
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -171.013900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.013900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.013900 (E_RNA)
where:
Base-Base interactions energy: -65.789
where: short stacking energy: -58.671
Base-Backbone interact. energy: 1.808
local terms energy: -107.032954
where:
bonds (distance) C4'-P energy: -38.620
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -11.626
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: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -662.371609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.371609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.371609 (E_RNA)
where:
Base-Base interactions energy: -450.677
where: short stacking energy: -196.253
Base-Backbone interact. energy: -0.155
local terms energy: -211.538894
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -56.126
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: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -630.792998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.792998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.792998 (E_RNA)
where:
Base-Base interactions energy: -433.781
where: short stacking energy: -178.107
Base-Backbone interact. energy: -1.854
local terms energy: -195.157491
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -38.677
flat angles P-C4'-P energy: -28.802
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: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -561.607102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.607102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.607102 (E_RNA)
where:
Base-Base interactions energy: -365.716
where: short stacking energy: -148.401
Base-Backbone interact. energy: -0.175
local terms energy: -195.716276
where:
bonds (distance) C4'-P energy: -42.532
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -43.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -547.146169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.146169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.146169 (E_RNA)
where:
Base-Base interactions energy: -362.347
where: short stacking energy: -172.114
Base-Backbone interact. energy: -0.242
local terms energy: -184.556393
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -44.961
flat angles P-C4'-P energy: -28.339
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -489.115483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.115483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.115483 (E_RNA)
where:
Base-Base interactions energy: -313.584
where: short stacking energy: -147.791
Base-Backbone interact. energy: -0.255
local terms energy: -175.276118
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -42.428
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: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -467.844948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.844948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.844948 (E_RNA)
where:
Base-Base interactions energy: -286.784
where: short stacking energy: -137.887
Base-Backbone interact. energy: -0.709
local terms energy: -180.352038
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -38.533
flat angles C4'-P-C4' energy: -39.625
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -40.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -198.407255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.407255 (E_RNA)
where:
Base-Base interactions energy: -73.493
where: short stacking energy: -52.587
Base-Backbone interact. energy: 0.450
local terms energy: -125.364307
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: 3.942
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: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -185.637330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.637330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.637330 (E_RNA)
where:
Base-Base interactions energy: -76.388
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.170
local terms energy: -109.079572
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -190.040371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.040371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.040371 (E_RNA)
where:
Base-Base interactions energy: -66.768
where: short stacking energy: -50.200
Base-Backbone interact. energy: -0.863
local terms energy: -122.409991
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -42.977
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: 3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -162.064921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.064921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.064921 (E_RNA)
where:
Base-Base interactions energy: -61.413
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.909
local terms energy: -99.742527
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -43.540
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: 5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -654.235235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.235235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.235235 (E_RNA)
where:
Base-Base interactions energy: -437.073
where: short stacking energy: -189.549
Base-Backbone interact. energy: 0.962
local terms energy: -218.124429
where:
bonds (distance) C4'-P energy: -43.971
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -59.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -645.919510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.919510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.919510 (E_RNA)
where:
Base-Base interactions energy: -436.016
where: short stacking energy: -188.469
Base-Backbone interact. energy: -0.745
local terms energy: -209.158346
where:
bonds (distance) C4'-P energy: -43.330
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -44.817
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -58.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -596.003707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.003707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.003707 (E_RNA)
where:
Base-Base interactions energy: -391.795
where: short stacking energy: -173.884
Base-Backbone interact. energy: -0.488
local terms energy: -203.720507
where:
bonds (distance) C4'-P energy: -42.290
bonds (distance) P-C4' energy: -37.988
flat angles C4'-P-C4' energy: -47.023
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -52.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -563.225089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.225089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.225089 (E_RNA)
where:
Base-Base interactions energy: -372.040
where: short stacking energy: -167.108
Base-Backbone interact. energy: -1.694
local terms energy: -189.491522
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -48.386
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: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -510.349920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.349920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.349920 (E_RNA)
where:
Base-Base interactions energy: -330.029
where: short stacking energy: -158.846
Base-Backbone interact. energy: -0.516
local terms energy: -179.804525
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -38.751
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -50.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -471.287196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.287196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.287196 (E_RNA)
where:
Base-Base interactions energy: -296.969
where: short stacking energy: -140.551
Base-Backbone interact. energy: -0.395
local terms energy: -173.923438
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -40.494
flat angles C4'-P-C4' energy: -40.001
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -39.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -209.575632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.575632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.575632 (E_RNA)
where:
Base-Base interactions energy: -99.863
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.417
local terms energy: -109.295417
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -19.285
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: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -201.028127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.028127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028127 (E_RNA)
where:
Base-Base interactions energy: -62.911
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.507
local terms energy: -137.609663
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -40.518
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -187.454730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.454730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.454730 (E_RNA)
where:
Base-Base interactions energy: -55.113
where: short stacking energy: -54.092
Base-Backbone interact. energy: 0.819
local terms energy: -133.161065
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -38.724
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -172.395275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.395275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.395275 (E_RNA)
where:
Base-Base interactions energy: -72.733
where: short stacking energy: -46.817
Base-Backbone interact. energy: 8.618
local terms energy: -108.279664
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -671.693598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.693598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.693598 (E_RNA)
where:
Base-Base interactions energy: -450.731
where: short stacking energy: -199.221
Base-Backbone interact. energy: -0.373
local terms energy: -220.589155
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -31.956
tors. eta vs tors. theta energy: -65.877
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: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -629.450819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.450819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.450819 (E_RNA)
where:
Base-Base interactions energy: -414.901
where: short stacking energy: -176.263
Base-Backbone interact. energy: -0.145
local terms energy: -214.404701
where:
bonds (distance) C4'-P energy: -39.685
bonds (distance) P-C4' energy: -43.018
flat angles C4'-P-C4' energy: -45.000
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -55.750
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -564.540589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.540589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.540589 (E_RNA)
where:
Base-Base interactions energy: -386.702
where: short stacking energy: -162.249
Base-Backbone interact. energy: -2.314
local terms energy: -175.524487
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -39.101
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -45.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -542.815332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.815332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.815332 (E_RNA)
where:
Base-Base interactions energy: -364.219
where: short stacking energy: -158.486
Base-Backbone interact. energy: -0.971
local terms energy: -177.625089
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -37.166
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -43.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -512.882794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.882794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.882794 (E_RNA)
where:
Base-Base interactions energy: -342.226
where: short stacking energy: -164.798
Base-Backbone interact. energy: 0.219
local terms energy: -170.875509
where:
bonds (distance) C4'-P energy: -40.295
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -50.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -511.224968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.224968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.224968 (E_RNA)
where:
Base-Base interactions energy: -328.070
where: short stacking energy: -149.237
Base-Backbone interact. energy: -0.507
local terms energy: -182.648243
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -41.696
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: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -214.560063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.560063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.560063 (E_RNA)
where:
Base-Base interactions energy: -80.205
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.522
local terms energy: -133.832408
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -37.347
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -188.159602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.159602 (E_RNA)
where:
Base-Base interactions energy: -58.630
where: short stacking energy: -55.571
Base-Backbone interact. energy: 0.798
local terms energy: -130.327765
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -6.633
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: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -223.324112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.324112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.324112 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -68.710
Base-Backbone interact. energy: -1.357
local terms energy: -96.970816
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -171.716782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.716782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.716782 (E_RNA)
where:
Base-Base interactions energy: -56.942
where: short stacking energy: -43.515
Base-Backbone interact. energy: -1.246
local terms energy: -113.529180
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: 7.082
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: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -687.366426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.366426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.366426 (E_RNA)
where:
Base-Base interactions energy: -466.351
where: short stacking energy: -201.374
Base-Backbone interact. energy: -0.635
local terms energy: -220.381018
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -48.683
flat angles P-C4'-P energy: -31.925
tors. eta vs tors. theta energy: -61.164
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: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -603.789906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.789906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.789906 (E_RNA)
where:
Base-Base interactions energy: -395.362
where: short stacking energy: -170.849
Base-Backbone interact. energy: -0.457
local terms energy: -207.971343
where:
bonds (distance) C4'-P energy: -40.865
bonds (distance) P-C4' energy: -38.129
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -50.640
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: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -598.626877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.626877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.626877 (E_RNA)
where:
Base-Base interactions energy: -401.223
where: short stacking energy: -161.793
Base-Backbone interact. energy: 0.412
local terms energy: -197.816129
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -51.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -515.168493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.168493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.168493 (E_RNA)
where:
Base-Base interactions energy: -323.053
where: short stacking energy: -155.269
Base-Backbone interact. energy: -0.211
local terms energy: -191.904782
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -48.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -547.805293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.805293 (E_RNA)
where:
Base-Base interactions energy: -352.849
where: short stacking energy: -172.887
Base-Backbone interact. energy: -1.024
local terms energy: -193.932501
where:
bonds (distance) C4'-P energy: -42.370
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -42.792
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -47.829
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: 45
Temperature: 1.150000
Total energy: -510.799073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.799073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.799073 (E_RNA)
where:
Base-Base interactions energy: -322.064
where: short stacking energy: -150.457
Base-Backbone interact. energy: -1.085
local terms energy: -187.649720
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -42.390
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -41.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -210.423121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.423121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.423121 (E_RNA)
where:
Base-Base interactions energy: -73.955
where: short stacking energy: -60.028
Base-Backbone interact. energy: -1.372
local terms energy: -135.096149
where:
bonds (distance) C4'-P energy: -39.525
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -30.500
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -211.341402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.341402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.341402 (E_RNA)
where:
Base-Base interactions energy: -104.583
where: short stacking energy: -60.937
Base-Backbone interact. energy: 5.364
local terms energy: -112.122731
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -41.433
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: 2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -176.166209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.166209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.166209 (E_RNA)
where:
Base-Base interactions energy: -65.622
where: short stacking energy: -48.171
Base-Backbone interact. energy: 4.371
local terms energy: -114.915113
where:
bonds (distance) C4'-P energy: -29.706
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: 1.848
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: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -169.731253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.731253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.731253 (E_RNA)
where:
Base-Base interactions energy: -58.438
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.619
local terms energy: -110.673637
where:
bonds (distance) C4'-P energy: -39.499
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: 7.454
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: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -679.474127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.474127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.474127 (E_RNA)
where:
Base-Base interactions energy: -458.205
where: short stacking energy: -196.072
Base-Backbone interact. energy: -1.653
local terms energy: -219.615528
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -46.862
flat angles P-C4'-P energy: -30.700
tors. eta vs tors. theta energy: -63.730
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -616.723906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.723906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.723906 (E_RNA)
where:
Base-Base interactions energy: -412.635
where: short stacking energy: -169.357
Base-Backbone interact. energy: 4.022
local terms energy: -208.110194
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -46.163
flat angles P-C4'-P energy: -32.429
tors. eta vs tors. theta energy: -53.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -570.924681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.924681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.924681 (E_RNA)
where:
Base-Base interactions energy: -388.053
where: short stacking energy: -150.581
Base-Backbone interact. energy: -1.814
local terms energy: -181.056941
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -47.289
flat angles P-C4'-P energy: -22.110
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: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -576.268649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.268649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.268649 (E_RNA)
where:
Base-Base interactions energy: -388.932
where: short stacking energy: -182.973
Base-Backbone interact. energy: -0.179
local terms energy: -187.158049
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -530.270537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.270537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.270537 (E_RNA)
where:
Base-Base interactions energy: -341.005
where: short stacking energy: -165.903
Base-Backbone interact. energy: -0.130
local terms energy: -189.135102
where:
bonds (distance) C4'-P energy: -40.685
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -40.159
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -49.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -528.120327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.120327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.120327 (E_RNA)
where:
Base-Base interactions energy: -347.169
where: short stacking energy: -171.322
Base-Backbone interact. energy: 0.095
local terms energy: -181.046544
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -45.934
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: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -246.787083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.787083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.787083 (E_RNA)
where:
Base-Base interactions energy: -96.227
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.636
local terms energy: -149.924618
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -237.078077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.078077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.078077 (E_RNA)
where:
Base-Base interactions energy: -96.540
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.301
local terms energy: -140.237193
where:
bonds (distance) C4'-P energy: -33.065
bonds (distance) P-C4' energy: -35.918
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -173.705819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.705819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.705819 (E_RNA)
where:
Base-Base interactions energy: -67.254
where: short stacking energy: -45.499
Base-Backbone interact. energy: -1.693
local terms energy: -104.758924
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: 3.341
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: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -166.161345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.161345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.161345 (E_RNA)
where:
Base-Base interactions energy: -54.213
where: short stacking energy: -40.558
Base-Backbone interact. energy: -0.380
local terms energy: -111.568183
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -41.234
flat angles C4'-P-C4' energy: -31.831
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: 12.136
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: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -679.362261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.362261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.362261 (E_RNA)
where:
Base-Base interactions energy: -456.930
where: short stacking energy: -188.022
Base-Backbone interact. energy: -1.140
local terms energy: -221.292053
where:
bonds (distance) C4'-P energy: -38.015
bonds (distance) P-C4' energy: -43.670
flat angles C4'-P-C4' energy: -46.821
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -62.858
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -634.167436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.167436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.167436 (E_RNA)
where:
Base-Base interactions energy: -419.553
where: short stacking energy: -177.542
Base-Backbone interact. energy: -0.446
local terms energy: -214.168643
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -42.977
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -59.186
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: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -570.459451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.459451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.459451 (E_RNA)
where:
Base-Base interactions energy: -389.607
where: short stacking energy: -164.904
Base-Backbone interact. energy: -0.585
local terms energy: -180.267352
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -38.155
flat angles C4'-P-C4' energy: -43.498
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -45.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -568.601134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.601134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.601134 (E_RNA)
where:
Base-Base interactions energy: -364.116
where: short stacking energy: -183.800
Base-Backbone interact. energy: -1.329
local terms energy: -203.156124
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -61.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -529.707329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.707329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.707329 (E_RNA)
where:
Base-Base interactions energy: -335.448
where: short stacking energy: -169.860
Base-Backbone interact. energy: -0.822
local terms energy: -193.436818
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -34.543
flat angles C4'-P-C4' energy: -42.413
flat angles P-C4'-P energy: -30.774
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -520.068860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.068860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.068860 (E_RNA)
where:
Base-Base interactions energy: -325.949
where: short stacking energy: -138.463
Base-Backbone interact. energy: -0.278
local terms energy: -193.842610
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -46.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -266.197996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.197996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.197996 (E_RNA)
where:
Base-Base interactions energy: -143.503
where: short stacking energy: -79.575
Base-Backbone interact. energy: 1.992
local terms energy: -124.687482
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -199.957469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.957469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.957469 (E_RNA)
where:
Base-Base interactions energy: -72.546
where: short stacking energy: -47.147
Base-Backbone interact. energy: -0.295
local terms energy: -127.116010
where:
bonds (distance) C4'-P energy: -32.306
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -30.630
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -9.303
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: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -188.497518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.497518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.497518 (E_RNA)
where:
Base-Base interactions energy: -87.335
where: short stacking energy: -47.065
Base-Backbone interact. energy: 0.327
local terms energy: -101.489156
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: 14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -177.403420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.403420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.403420 (E_RNA)
where:
Base-Base interactions energy: -63.381
where: short stacking energy: -34.940
Base-Backbone interact. energy: 1.172
local terms energy: -115.194672
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -3.049
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: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -678.769791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.769791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.769791 (E_RNA)
where:
Base-Base interactions energy: -456.780
where: short stacking energy: -199.975
Base-Backbone interact. energy: -1.076
local terms energy: -220.913833
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -41.314
flat angles C4'-P-C4' energy: -47.783
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -58.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -629.743350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.743350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.743350 (E_RNA)
where:
Base-Base interactions energy: -405.218
where: short stacking energy: -179.348
Base-Backbone interact. energy: -0.254
local terms energy: -224.272127
where:
bonds (distance) C4'-P energy: -43.676
bonds (distance) P-C4' energy: -41.485
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: -60.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -608.014758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.014758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.014758 (E_RNA)
where:
Base-Base interactions energy: -387.277
where: short stacking energy: -188.044
Base-Backbone interact. energy: -0.392
local terms energy: -220.345815
where:
bonds (distance) C4'-P energy: -43.019
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -43.220
flat angles P-C4'-P energy: -31.358
tors. eta vs tors. theta energy: -64.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -570.724446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.724446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.724446 (E_RNA)
where:
Base-Base interactions energy: -383.856
where: short stacking energy: -163.616
Base-Backbone interact. energy: -0.775
local terms energy: -186.093703
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -46.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -554.805536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.805536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.805536 (E_RNA)
where:
Base-Base interactions energy: -365.601
where: short stacking energy: -170.744
Base-Backbone interact. energy: -0.660
local terms energy: -188.544370
where:
bonds (distance) C4'-P energy: -35.611
bonds (distance) P-C4' energy: -38.645
flat angles C4'-P-C4' energy: -39.282
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -49.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -464.540205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.540205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.540205 (E_RNA)
where:
Base-Base interactions energy: -287.704
where: short stacking energy: -137.640
Base-Backbone interact. energy: -0.780
local terms energy: -176.056461
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -44.897
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: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -227.724023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.724023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.724023 (E_RNA)
where:
Base-Base interactions energy: -107.607
where: short stacking energy: -63.471
Base-Backbone interact. energy: -1.452
local terms energy: -118.665400
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: 0.044
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: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -203.940871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.940871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.940871 (E_RNA)
where:
Base-Base interactions energy: -87.388
where: short stacking energy: -55.821
Base-Backbone interact. energy: -3.146
local terms energy: -113.406470
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -193.424906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.424906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.424906 (E_RNA)
where:
Base-Base interactions energy: -91.763
where: short stacking energy: -66.107
Base-Backbone interact. energy: 0.955
local terms energy: -102.617772
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -17.381
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -176.973550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973550 (E_RNA)
where:
Base-Base interactions energy: -72.096
where: short stacking energy: -68.403
Base-Backbone interact. energy: 1.047
local terms energy: -105.924947
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -678.460866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.460866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.460866 (E_RNA)
where:
Base-Base interactions energy: -453.580
where: short stacking energy: -203.528
Base-Backbone interact. energy: -0.318
local terms energy: -224.562275
where:
bonds (distance) C4'-P energy: -44.779
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -60.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -620.519078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.519078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.519078 (E_RNA)
where:
Base-Base interactions energy: -401.665
where: short stacking energy: -195.837
Base-Backbone interact. energy: -1.419
local terms energy: -217.435657
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -39.463
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -30.651
tors. eta vs tors. theta energy: -65.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -598.639114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.639114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.639114 (E_RNA)
where:
Base-Base interactions energy: -390.481
where: short stacking energy: -170.209
Base-Backbone interact. energy: -0.604
local terms energy: -207.554861
where:
bonds (distance) C4'-P energy: -40.356
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -28.642
tors. eta vs tors. theta energy: -59.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -564.552717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.552717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.552717 (E_RNA)
where:
Base-Base interactions energy: -367.019
where: short stacking energy: -165.745
Base-Backbone interact. energy: 0.079
local terms energy: -197.612751
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -40.357
flat angles C4'-P-C4' energy: -43.092
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -42.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -533.306240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.306240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.306240 (E_RNA)
where:
Base-Base interactions energy: -350.467
where: short stacking energy: -140.140
Base-Backbone interact. energy: -1.040
local terms energy: -181.799251
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -43.286
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -39.102
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -454.714977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.714977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.714977 (E_RNA)
where:
Base-Base interactions energy: -282.895
where: short stacking energy: -137.772
Base-Backbone interact. energy: -0.168
local terms energy: -171.651605
where:
bonds (distance) C4'-P energy: -38.189
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -38.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -208.604369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.604369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.604369 (E_RNA)
where:
Base-Base interactions energy: -84.104
where: short stacking energy: -66.163
Base-Backbone interact. energy: 1.999
local terms energy: -126.498876
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -39.800
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -16.893
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: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -219.434383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.434383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.434383 (E_RNA)
where:
Base-Base interactions energy: -73.928
where: short stacking energy: -58.791
Base-Backbone interact. energy: 1.832
local terms energy: -147.338674
where:
bonds (distance) C4'-P energy: -38.977
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -40.887
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -167.959482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.959482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.959482 (E_RNA)
where:
Base-Base interactions energy: -63.211
where: short stacking energy: -44.019
Base-Backbone interact. energy: 0.553
local terms energy: -105.301884
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -34.049
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: 10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -169.570172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.570172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.570172 (E_RNA)
where:
Base-Base interactions energy: -55.201
where: short stacking energy: -54.465
Base-Backbone interact. energy: -0.616
local terms energy: -113.752599
where:
bonds (distance) C4'-P energy: -33.552
bonds (distance) P-C4' energy: -38.033
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -0.138
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: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -669.097188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.097188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.097188 (E_RNA)
where:
Base-Base interactions energy: -445.649
where: short stacking energy: -203.057
Base-Backbone interact. energy: 0.520
local terms energy: -223.968319
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -45.625
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -59.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -589.610826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.610826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.610826 (E_RNA)
where:
Base-Base interactions energy: -385.828
where: short stacking energy: -183.808
Base-Backbone interact. energy: -0.829
local terms energy: -202.954249
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -38.550
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -56.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -605.333160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.333160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.333160 (E_RNA)
where:
Base-Base interactions energy: -399.864
where: short stacking energy: -171.996
Base-Backbone interact. energy: 0.187
local terms energy: -205.656331
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -38.288
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -53.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -588.891979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.891979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.891979 (E_RNA)
where:
Base-Base interactions energy: -399.836
where: short stacking energy: -184.657
Base-Backbone interact. energy: -0.256
local terms energy: -188.799897
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -53.241
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: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -516.627952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.627952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.627952 (E_RNA)
where:
Base-Base interactions energy: -333.384
where: short stacking energy: -147.668
Base-Backbone interact. energy: -0.677
local terms energy: -182.567010
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -48.931
flat angles C4'-P-C4' energy: -42.052
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -37.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -418.011114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.011114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.011114 (E_RNA)
where:
Base-Base interactions energy: -251.529
where: short stacking energy: -127.653
Base-Backbone interact. energy: -0.445
local terms energy: -166.037404
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -43.035
flat angles P-C4'-P energy: -22.928
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: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -216.391803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391803 (E_RNA)
where:
Base-Base interactions energy: -89.827
where: short stacking energy: -57.756
Base-Backbone interact. energy: 0.866
local terms energy: -127.430764
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -10.815
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: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -184.439279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.439279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439279 (E_RNA)
where:
Base-Base interactions energy: -53.778
where: short stacking energy: -46.647
Base-Backbone interact. energy: -0.680
local terms energy: -129.981000
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -44.814
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: 6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -186.395404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.395404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.395404 (E_RNA)
where:
Base-Base interactions energy: -75.091
where: short stacking energy: -52.876
Base-Backbone interact. energy: 1.468
local terms energy: -112.772339
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: 0.822
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -169.856525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.856525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.856525 (E_RNA)
where:
Base-Base interactions energy: -61.235
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.663
local terms energy: -107.958095
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -31.225
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: 9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -679.759036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.759036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.759036 (E_RNA)
where:
Base-Base interactions energy: -455.195
where: short stacking energy: -209.039
Base-Backbone interact. energy: -0.223
local terms energy: -224.341462
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -47.493
flat angles P-C4'-P energy: -32.796
tors. eta vs tors. theta energy: -64.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -616.331801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.331801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.331801 (E_RNA)
where:
Base-Base interactions energy: -402.471
where: short stacking energy: -186.413
Base-Backbone interact. energy: 0.267
local terms energy: -214.127489
where:
bonds (distance) C4'-P energy: -36.102
bonds (distance) P-C4' energy: -43.485
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -57.194
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: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -602.961099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.961099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.961099 (E_RNA)
where:
Base-Base interactions energy: -389.906
where: short stacking energy: -189.960
Base-Backbone interact. energy: -0.295
local terms energy: -212.760719
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -43.029
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -30.878
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: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -594.433377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.433377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.433377 (E_RNA)
where:
Base-Base interactions energy: -410.310
where: short stacking energy: -165.557
Base-Backbone interact. energy: -1.019
local terms energy: -183.104279
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -50.269
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: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -572.588479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.588479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.588479 (E_RNA)
where:
Base-Base interactions energy: -378.344
where: short stacking energy: -183.281
Base-Backbone interact. energy: -0.312
local terms energy: -193.932258
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -40.766
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -56.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -408.174557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.174557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.174557 (E_RNA)
where:
Base-Base interactions energy: -244.109
where: short stacking energy: -117.059
Base-Backbone interact. energy: -0.957
local terms energy: -163.109250
where:
bonds (distance) C4'-P energy: -36.862
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -42.148
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -203.131541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131541 (E_RNA)
where:
Base-Base interactions energy: -84.229
where: short stacking energy: -59.531
Base-Backbone interact. energy: -1.384
local terms energy: -117.517808
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -41.720
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -207.543831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.543831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.543831 (E_RNA)
where:
Base-Base interactions energy: -80.501
where: short stacking energy: -54.607
Base-Backbone interact. energy: 1.118
local terms energy: -128.160398
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -184.602351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.602351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.602351 (E_RNA)
where:
Base-Base interactions energy: -64.394
where: short stacking energy: -56.778
Base-Backbone interact. energy: -0.046
local terms energy: -120.162358
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -19.347
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -174.612294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.612294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.612294 (E_RNA)
where:
Base-Base interactions energy: -60.567
where: short stacking energy: -42.972
Base-Backbone interact. energy: 1.840
local terms energy: -115.885049
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -683.992992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.992992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.992992 (E_RNA)
where:
Base-Base interactions energy: -463.766
where: short stacking energy: -199.327
Base-Backbone interact. energy: -0.814
local terms energy: -219.412773
where:
bonds (distance) C4'-P energy: -41.485
bonds (distance) P-C4' energy: -42.842
flat angles C4'-P-C4' energy: -45.203
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -59.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -612.585012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.585012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.585012 (E_RNA)
where:
Base-Base interactions energy: -399.887
where: short stacking energy: -171.846
Base-Backbone interact. energy: -0.126
local terms energy: -212.571789
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -41.570
flat angles C4'-P-C4' energy: -41.502
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: -56.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -599.705023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.705023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.705023 (E_RNA)
where:
Base-Base interactions energy: -389.903
where: short stacking energy: -195.071
Base-Backbone interact. energy: -0.085
local terms energy: -209.717373
where:
bonds (distance) C4'-P energy: -34.665
bonds (distance) P-C4' energy: -42.085
flat angles C4'-P-C4' energy: -46.357
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -55.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -600.502116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.502116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.502116 (E_RNA)
where:
Base-Base interactions energy: -400.379
where: short stacking energy: -175.908
Base-Backbone interact. energy: -0.770
local terms energy: -199.352975
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -40.154
flat angles C4'-P-C4' energy: -41.718
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -54.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -565.183039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.183039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.183039 (E_RNA)
where:
Base-Base interactions energy: -373.755
where: short stacking energy: -173.318
Base-Backbone interact. energy: -0.271
local terms energy: -191.157522
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -40.186
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -33.592
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -406.912035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.912035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.912035 (E_RNA)
where:
Base-Base interactions energy: -238.249
where: short stacking energy: -123.612
Base-Backbone interact. energy: 1.034
local terms energy: -169.696305
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: -32.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -235.787445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.787445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.787445 (E_RNA)
where:
Base-Base interactions energy: -106.044
where: short stacking energy: -66.630
Base-Backbone interact. energy: 1.284
local terms energy: -131.027456
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -24.368
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: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -199.182651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.182651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.182651 (E_RNA)
where:
Base-Base interactions energy: -82.181
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.783
local terms energy: -116.218544
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -32.534
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -175.927575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.927575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.927575 (E_RNA)
where:
Base-Base interactions energy: -59.686
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.525
local terms energy: -115.717171
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -33.985
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: 1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -165.591107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.591107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.591107 (E_RNA)
where:
Base-Base interactions energy: -50.237
where: short stacking energy: -28.472
Base-Backbone interact. energy: -1.449
local terms energy: -113.904557
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -38.236
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: 7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -660.319829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.319829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.319829 (E_RNA)
where:
Base-Base interactions energy: -437.043
where: short stacking energy: -191.114
Base-Backbone interact. energy: -1.064
local terms energy: -222.212202
where:
bonds (distance) C4'-P energy: -45.162
bonds (distance) P-C4' energy: -38.232
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -58.736
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -620.817484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.817484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.817484 (E_RNA)
where:
Base-Base interactions energy: -414.148
where: short stacking energy: -183.088
Base-Backbone interact. energy: -0.575
local terms energy: -206.095021
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -40.131
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -55.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -597.580651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.580651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.580651 (E_RNA)
where:
Base-Base interactions energy: -395.749
where: short stacking energy: -193.731
Base-Backbone interact. energy: -0.101
local terms energy: -201.731189
where:
bonds (distance) C4'-P energy: -41.473
bonds (distance) P-C4' energy: -33.036
flat angles C4'-P-C4' energy: -38.546
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -54.572
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: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -585.111805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.111805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.111805 (E_RNA)
where:
Base-Base interactions energy: -391.732
where: short stacking energy: -170.548
Base-Backbone interact. energy: 1.302
local terms energy: -194.682089
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -42.688
flat angles P-C4'-P energy: -31.631
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -576.655320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.655320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.655320 (E_RNA)
where:
Base-Base interactions energy: -382.874
where: short stacking energy: -165.534
Base-Backbone interact. energy: -0.415
local terms energy: -193.366678
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -42.709
flat angles C4'-P-C4' energy: -42.090
flat angles P-C4'-P energy: -29.717
tors. eta vs tors. theta energy: -41.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -400.525277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.525277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.525277 (E_RNA)
where:
Base-Base interactions energy: -229.685
where: short stacking energy: -121.612
Base-Backbone interact. energy: -2.681
local terms energy: -168.159154
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -40.991
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -36.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -253.322311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.322311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.322311 (E_RNA)
where:
Base-Base interactions energy: -114.583
where: short stacking energy: -76.349
Base-Backbone interact. energy: -0.710
local terms energy: -138.029595
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -21.335
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -200.301015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.301015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.301015 (E_RNA)
where:
Base-Base interactions energy: -75.413
where: short stacking energy: -37.779
Base-Backbone interact. energy: -2.109
local terms energy: -122.778160
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -41.920
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: 3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -199.750670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.750670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.750670 (E_RNA)
where:
Base-Base interactions energy: -82.079
where: short stacking energy: -55.255
Base-Backbone interact. energy: -1.580
local terms energy: -116.091141
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -178.007087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.007087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.007087 (E_RNA)
where:
Base-Base interactions energy: -59.242
where: short stacking energy: -54.633
Base-Backbone interact. energy: 0.355
local terms energy: -119.119579
where:
bonds (distance) C4'-P energy: -37.370
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: 3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -658.364497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.364497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.364497 (E_RNA)
where:
Base-Base interactions energy: -440.592
where: short stacking energy: -203.026
Base-Backbone interact. energy: -0.280
local terms energy: -217.492661
where:
bonds (distance) C4'-P energy: -38.442
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -43.561
flat angles P-C4'-P energy: -32.866
tors. eta vs tors. theta energy: -61.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -618.405029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.405029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.405029 (E_RNA)
where:
Base-Base interactions energy: -414.592
where: short stacking energy: -190.428
Base-Backbone interact. energy: -0.686
local terms energy: -203.127608
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -36.745
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -55.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -601.150208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.150208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.150208 (E_RNA)
where:
Base-Base interactions energy: -394.971
where: short stacking energy: -181.579
Base-Backbone interact. energy: -1.135
local terms energy: -205.044182
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -41.023
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -28.729
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: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -568.767318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.767318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.767318 (E_RNA)
where:
Base-Base interactions energy: -399.545
where: short stacking energy: -169.450
Base-Backbone interact. energy: -0.876
local terms energy: -168.345791
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -31.592
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -52.776
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: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -559.847805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.847805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.847805 (E_RNA)
where:
Base-Base interactions energy: -362.732
where: short stacking energy: -172.241
Base-Backbone interact. energy: -0.172
local terms energy: -196.943765
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -44.212
flat angles P-C4'-P energy: -34.913
tors. eta vs tors. theta energy: -55.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -367.782396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.782396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.782396 (E_RNA)
where:
Base-Base interactions energy: -210.540
where: short stacking energy: -103.120
Base-Backbone interact. energy: 0.847
local terms energy: -158.089336
where:
bonds (distance) C4'-P energy: -38.125
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -45.099
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -22.875
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: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -240.896860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.896860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.896860 (E_RNA)
where:
Base-Base interactions energy: -98.459
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.058
local terms energy: -142.380493
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -197.491646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.491646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.491646 (E_RNA)
where:
Base-Base interactions energy: -70.458
where: short stacking energy: -61.272
Base-Backbone interact. energy: 0.268
local terms energy: -127.302255
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: 0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -171.772988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.772988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.772988 (E_RNA)
where:
Base-Base interactions energy: -54.267
where: short stacking energy: -37.579
Base-Backbone interact. energy: 0.966
local terms energy: -118.471557
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -34.725
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: 6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -167.258770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.258770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.258770 (E_RNA)
where:
Base-Base interactions energy: -47.320
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.773
local terms energy: -119.165799
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -18.855
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -667.806303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.806303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.806303 (E_RNA)
where:
Base-Base interactions energy: -438.606
where: short stacking energy: -192.730
Base-Backbone interact. energy: -0.286
local terms energy: -228.915017
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -41.792
flat angles C4'-P-C4' energy: -43.997
flat angles P-C4'-P energy: -38.355
tors. eta vs tors. theta energy: -61.760
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: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -614.256925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.256925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.256925 (E_RNA)
where:
Base-Base interactions energy: -417.654
where: short stacking energy: -168.910
Base-Backbone interact. energy: -0.814
local terms energy: -195.789065
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -33.567
tors. eta vs tors. theta energy: -50.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -589.615024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.615024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.615024 (E_RNA)
where:
Base-Base interactions energy: -380.430
where: short stacking energy: -173.817
Base-Backbone interact. energy: -2.194
local terms energy: -206.991306
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -52.100
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -597.862759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.862759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.862759 (E_RNA)
where:
Base-Base interactions energy: -397.789
where: short stacking energy: -172.158
Base-Backbone interact. energy: -0.561
local terms energy: -199.512577
where:
bonds (distance) C4'-P energy: -35.281
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -54.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -553.512373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.512373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.512373 (E_RNA)
where:
Base-Base interactions energy: -369.863
where: short stacking energy: -165.876
Base-Backbone interact. energy: -1.163
local terms energy: -182.486615
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -40.419
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -49.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -391.386958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.386958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.386958 (E_RNA)
where:
Base-Base interactions energy: -217.916
where: short stacking energy: -110.607
Base-Backbone interact. energy: -0.706
local terms energy: -172.764733
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -42.023
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -261.335685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.335685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.335685 (E_RNA)
where:
Base-Base interactions energy: -136.869
where: short stacking energy: -74.658
Base-Backbone interact. energy: 0.892
local terms energy: -125.358708
where:
bonds (distance) C4'-P energy: -40.691
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -193.469566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.469566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.469566 (E_RNA)
where:
Base-Base interactions energy: -72.028
where: short stacking energy: -42.408
Base-Backbone interact. energy: -0.483
local terms energy: -120.958331
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -36.534
flat angles C4'-P-C4' energy: -39.411
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: 5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -206.491576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.491576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.491576 (E_RNA)
where:
Base-Base interactions energy: -87.932
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.744
local terms energy: -117.815574
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -182.260637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260637 (E_RNA)
where:
Base-Base interactions energy: -50.655
where: short stacking energy: -50.005
Base-Backbone interact. energy: -0.594
local terms energy: -131.011929
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -34.771
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -675.896261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.896261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.896261 (E_RNA)
where:
Base-Base interactions energy: -459.686
where: short stacking energy: -198.379
Base-Backbone interact. energy: -0.545
local terms energy: -215.665126
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -43.574
flat angles C4'-P-C4' energy: -43.578
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -62.014
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: 56
Temperature: 0.950000
Total energy: -610.408335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.408335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.408335 (E_RNA)
where:
Base-Base interactions energy: -401.985
where: short stacking energy: -179.698
Base-Backbone interact. energy: 0.294
local terms energy: -208.716863
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -45.491
flat angles C4'-P-C4' energy: -38.164
flat angles P-C4'-P energy: -27.430
tors. eta vs tors. theta energy: -54.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -628.349513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.349513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.349513 (E_RNA)
where:
Base-Base interactions energy: -427.417
where: short stacking energy: -188.315
Base-Backbone interact. energy: -0.139
local terms energy: -200.793171
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -41.993
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -60.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -609.961028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.961028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.961028 (E_RNA)
where:
Base-Base interactions energy: -408.818
where: short stacking energy: -186.664
Base-Backbone interact. energy: -0.029
local terms energy: -201.114591
where:
bonds (distance) C4'-P energy: -33.676
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -43.042
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -57.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -528.945892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.945892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.945892 (E_RNA)
where:
Base-Base interactions energy: -346.285
where: short stacking energy: -153.041
Base-Backbone interact. energy: -0.350
local terms energy: -182.310309
where:
bonds (distance) C4'-P energy: -41.503
bonds (distance) P-C4' energy: -34.969
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -37.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -352.313675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.313675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.313675 (E_RNA)
where:
Base-Base interactions energy: -202.630
where: short stacking energy: -102.335
Base-Backbone interact. energy: -0.772
local terms energy: -148.912073
where:
bonds (distance) C4'-P energy: -42.563
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -282.100929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.100929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.100929 (E_RNA)
where:
Base-Base interactions energy: -168.966
where: short stacking energy: -69.604
Base-Backbone interact. energy: -3.011
local terms energy: -110.123371
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -29.194
flat angles P-C4'-P energy: -21.524
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: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -236.496850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.496850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.496850 (E_RNA)
where:
Base-Base interactions energy: -108.093
where: short stacking energy: -64.093
Base-Backbone interact. energy: -1.534
local terms energy: -126.870008
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -3.558
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -199.531507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.531507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.531507 (E_RNA)
where:
Base-Base interactions energy: -68.365
where: short stacking energy: -50.495
Base-Backbone interact. energy: 0.899
local terms energy: -132.066198
where:
bonds (distance) C4'-P energy: -39.939
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -171.568314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.568314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.568314 (E_RNA)
where:
Base-Base interactions energy: -74.517
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.841
local terms energy: -96.210123
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: 5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -669.557622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.557622 (E_RNA)
where:
Base-Base interactions energy: -458.423
where: short stacking energy: -201.650
Base-Backbone interact. energy: -0.309
local terms energy: -210.824931
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -43.452
flat angles P-C4'-P energy: -28.593
tors. eta vs tors. theta energy: -58.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -615.680098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.680098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.680098 (E_RNA)
where:
Base-Base interactions energy: -411.327
where: short stacking energy: -182.687
Base-Backbone interact. energy: 0.225
local terms energy: -204.578093
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -55.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -628.780351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.780351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.780351 (E_RNA)
where:
Base-Base interactions energy: -428.885
where: short stacking energy: -193.235
Base-Backbone interact. energy: -0.111
local terms energy: -199.784498
where:
bonds (distance) C4'-P energy: -34.002
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -43.741
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -57.876
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: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -581.187984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.187984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.187984 (E_RNA)
where:
Base-Base interactions energy: -372.829
where: short stacking energy: -165.118
Base-Backbone interact. energy: -0.547
local terms energy: -207.812160
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -38.506
flat angles P-C4'-P energy: -30.686
tors. eta vs tors. theta energy: -57.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -545.170990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.170990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.170990 (E_RNA)
where:
Base-Base interactions energy: -351.226
where: short stacking energy: -168.991
Base-Backbone interact. energy: -0.087
local terms energy: -193.858211
where:
bonds (distance) C4'-P energy: -41.586
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -37.473
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -42.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -348.967697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.967697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.967697 (E_RNA)
where:
Base-Base interactions energy: -190.869
where: short stacking energy: -90.682
Base-Backbone interact. energy: -1.445
local terms energy: -156.653677
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -44.018
flat angles C4'-P-C4' energy: -38.901
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -20.258
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: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -279.315250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.315250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.315250 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.623
local terms energy: -141.143876
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -197.905490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.905490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.905490 (E_RNA)
where:
Base-Base interactions energy: -71.529
where: short stacking energy: -51.510
Base-Backbone interact. energy: -1.438
local terms energy: -124.938477
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -39.338
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -22.279
tors. eta vs tors. theta energy: -3.623
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: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -206.904886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.904886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.904886 (E_RNA)
where:
Base-Base interactions energy: -91.592
where: short stacking energy: -67.187
Base-Backbone interact. energy: 1.628
local terms energy: -116.940074
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -39.402
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -166.233641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.233641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.233641 (E_RNA)
where:
Base-Base interactions energy: -71.972
where: short stacking energy: -39.470
Base-Backbone interact. energy: -2.321
local terms energy: -91.940569
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -36.628
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: 12.294
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -677.344333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.344333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.344333 (E_RNA)
where:
Base-Base interactions energy: -456.482
where: short stacking energy: -191.286
Base-Backbone interact. energy: -0.766
local terms energy: -220.096865
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -41.284
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -58.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -617.964489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.964489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.964489 (E_RNA)
where:
Base-Base interactions energy: -402.501
where: short stacking energy: -179.185
Base-Backbone interact. energy: -1.035
local terms energy: -214.428433
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -37.287
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -56.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -640.553800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.553800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.553800 (E_RNA)
where:
Base-Base interactions energy: -433.888
where: short stacking energy: -204.100
Base-Backbone interact. energy: -0.734
local terms energy: -205.932016
where:
bonds (distance) C4'-P energy: -35.037
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -41.145
flat angles P-C4'-P energy: -33.557
tors. eta vs tors. theta energy: -62.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -590.606496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.606496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.606496 (E_RNA)
where:
Base-Base interactions energy: -390.356
where: short stacking energy: -165.873
Base-Backbone interact. energy: -1.136
local terms energy: -199.114179
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -37.345
flat angles C4'-P-C4' energy: -43.932
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -58.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -546.674136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.674136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.674136 (E_RNA)
where:
Base-Base interactions energy: -362.766
where: short stacking energy: -154.516
Base-Backbone interact. energy: -0.242
local terms energy: -183.666211
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -41.272
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: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -388.260731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.260731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.260731 (E_RNA)
where:
Base-Base interactions energy: -228.464
where: short stacking energy: -110.973
Base-Backbone interact. energy: -1.082
local terms energy: -158.714769
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -218.065635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.065635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.065635 (E_RNA)
where:
Base-Base interactions energy: -93.958
where: short stacking energy: -81.400
Base-Backbone interact. energy: 1.002
local terms energy: -125.110406
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -2.673
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: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -251.995349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.995349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.995349 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -64.123
Base-Backbone interact. energy: 6.191
local terms energy: -123.309858
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -16.581
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -178.328191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.328191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.328191 (E_RNA)
where:
Base-Base interactions energy: -57.054
where: short stacking energy: -56.446
Base-Backbone interact. energy: 0.879
local terms energy: -122.153049
where:
bonds (distance) C4'-P energy: -33.061
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -182.557098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.557098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.557098 (E_RNA)
where:
Base-Base interactions energy: -62.162
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.672
local terms energy: -119.722765
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -685.590229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.590229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.590229 (E_RNA)
where:
Base-Base interactions energy: -460.477
where: short stacking energy: -201.842
Base-Backbone interact. energy: -1.355
local terms energy: -223.758380
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -42.392
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -63.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -644.525798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.525798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.525798 (E_RNA)
where:
Base-Base interactions energy: -435.735
where: short stacking energy: -203.851
Base-Backbone interact. energy: -1.520
local terms energy: -207.270949
where:
bonds (distance) C4'-P energy: -38.981
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: -60.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -593.688941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.688941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.688941 (E_RNA)
where:
Base-Base interactions energy: -402.210
where: short stacking energy: -176.380
Base-Backbone interact. energy: -1.113
local terms energy: -190.366196
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -58.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -576.554144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.554144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.554144 (E_RNA)
where:
Base-Base interactions energy: -386.785
where: short stacking energy: -176.723
Base-Backbone interact. energy: -0.753
local terms energy: -189.016344
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -38.606
flat angles C4'-P-C4' energy: -42.246
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -51.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -563.609982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.609982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.609982 (E_RNA)
where:
Base-Base interactions energy: -365.224
where: short stacking energy: -171.564
Base-Backbone interact. energy: 0.057
local terms energy: -198.443006
where:
bonds (distance) C4'-P energy: -39.227
bonds (distance) P-C4' energy: -38.176
flat angles C4'-P-C4' energy: -43.382
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -51.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -385.926241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.926241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.926241 (E_RNA)
where:
Base-Base interactions energy: -229.382
where: short stacking energy: -114.586
Base-Backbone interact. energy: -0.691
local terms energy: -155.853679
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -28.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -214.550371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.550371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.550371 (E_RNA)
where:
Base-Base interactions energy: -79.963
where: short stacking energy: -56.200
Base-Backbone interact. energy: 1.485
local terms energy: -136.072909
where:
bonds (distance) C4'-P energy: -38.459
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -22.341
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: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -258.887883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.887883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.887883 (E_RNA)
where:
Base-Base interactions energy: -134.653
where: short stacking energy: -74.524
Base-Backbone interact. energy: 0.260
local terms energy: -124.494733
where:
bonds (distance) C4'-P energy: -31.606
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -33.970
flat angles P-C4'-P energy: -17.921
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -226.107239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.107239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.107239 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -49.037
Base-Backbone interact. energy: -0.065
local terms energy: -119.206171
where:
bonds (distance) C4'-P energy: -34.700
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: 7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -175.238393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.238393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.238393 (E_RNA)
where:
Base-Base interactions energy: -56.970
where: short stacking energy: -56.970
Base-Backbone interact. energy: 0.932
local terms energy: -119.200598
where:
bonds (distance) C4'-P energy: -39.262
bonds (distance) P-C4' energy: -38.596
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: 3.184
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: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -682.842766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.842766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.842766 (E_RNA)
where:
Base-Base interactions energy: -459.553
where: short stacking energy: -193.684
Base-Backbone interact. energy: -1.842
local terms energy: -221.447400
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -43.895
flat angles C4'-P-C4' energy: -45.044
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -60.010
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: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -649.266087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.266087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.266087 (E_RNA)
where:
Base-Base interactions energy: -427.732
where: short stacking energy: -196.962
Base-Backbone interact. energy: -1.232
local terms energy: -220.302067
where:
bonds (distance) C4'-P energy: -42.654
bonds (distance) P-C4' energy: -39.283
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -62.731
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: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -588.061948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.061948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.061948 (E_RNA)
where:
Base-Base interactions energy: -386.788
where: short stacking energy: -169.134
Base-Backbone interact. energy: -0.153
local terms energy: -201.120607
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -44.003
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -54.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -587.829835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.829835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.829835 (E_RNA)
where:
Base-Base interactions energy: -384.845
where: short stacking energy: -180.776
Base-Backbone interact. energy: -0.261
local terms energy: -202.723776
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -39.607
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -34.644
tors. eta vs tors. theta energy: -53.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -556.693295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.693295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.693295 (E_RNA)
where:
Base-Base interactions energy: -364.441
where: short stacking energy: -162.794
Base-Backbone interact. energy: -0.660
local terms energy: -191.592340
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -37.888
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -52.113
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: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -370.786568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.786568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.786568 (E_RNA)
where:
Base-Base interactions energy: -227.532
where: short stacking energy: -117.017
Base-Backbone interact. energy: -0.598
local terms energy: -142.656609
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -36.041
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -292.032354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.032354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.032354 (E_RNA)
where:
Base-Base interactions energy: -170.994
where: short stacking energy: -84.455
Base-Backbone interact. energy: -0.556
local terms energy: -120.482648
where:
bonds (distance) C4'-P energy: -30.858
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -200.767687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.767687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.767687 (E_RNA)
where:
Base-Base interactions energy: -76.128
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.517
local terms energy: -124.122168
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -239.787933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.787933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.787933 (E_RNA)
where:
Base-Base interactions energy: -98.457
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.210
local terms energy: -141.120921
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -177.080710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.080710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.080710 (E_RNA)
where:
Base-Base interactions energy: -52.358
where: short stacking energy: -51.203
Base-Backbone interact. energy: 1.778
local terms energy: -126.500723
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -33.930
flat angles C4'-P-C4' energy: -38.317
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -675.822913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.822913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.822913 (E_RNA)
where:
Base-Base interactions energy: -465.077
where: short stacking energy: -189.127
Base-Backbone interact. energy: -0.282
local terms energy: -210.463438
where:
bonds (distance) C4'-P energy: -37.208
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -47.230
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -58.539
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: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -660.812480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.812480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.812480 (E_RNA)
where:
Base-Base interactions energy: -428.132
where: short stacking energy: -194.681
Base-Backbone interact. energy: 1.003
local terms energy: -233.683773
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -46.842
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -66.910
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: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -609.579358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.579358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.579358 (E_RNA)
where:
Base-Base interactions energy: -401.418
where: short stacking energy: -183.644
Base-Backbone interact. energy: -0.119
local terms energy: -208.042547
where:
bonds (distance) C4'-P energy: -35.513
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -30.792
tors. eta vs tors. theta energy: -56.888
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: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -598.012520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.012520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.012520 (E_RNA)
where:
Base-Base interactions energy: -390.914
where: short stacking energy: -176.565
Base-Backbone interact. energy: 0.621
local terms energy: -207.720353
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -50.504
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -558.955771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.955771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.955771 (E_RNA)
where:
Base-Base interactions energy: -361.376
where: short stacking energy: -143.259
Base-Backbone interact. energy: -0.909
local terms energy: -196.671095
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -50.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -373.766957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.766957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.766957 (E_RNA)
where:
Base-Base interactions energy: -222.276
where: short stacking energy: -108.484
Base-Backbone interact. energy: -1.306
local terms energy: -150.185475
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -40.310
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -21.109
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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -336.817035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.817035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.817035 (E_RNA)
where:
Base-Base interactions energy: -185.659
where: short stacking energy: -99.581
Base-Backbone interact. energy: -0.918
local terms energy: -150.240518
where:
bonds (distance) C4'-P energy: -35.640
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -41.412
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -26.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -236.991585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.991585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.991585 (E_RNA)
where:
Base-Base interactions energy: -120.788
where: short stacking energy: -78.697
Base-Backbone interact. energy: -0.772
local terms energy: -115.431209
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -182.399237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.399237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.399237 (E_RNA)
where:
Base-Base interactions energy: -68.547
where: short stacking energy: -58.767
Base-Backbone interact. energy: -1.247
local terms energy: -112.605581
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -155.601690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.601690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.601690 (E_RNA)
where:
Base-Base interactions energy: -53.404
where: short stacking energy: -51.538
Base-Backbone interact. energy: 2.648
local terms energy: -104.845066
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: 3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -659.971980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.971980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.971980 (E_RNA)
where:
Base-Base interactions energy: -432.137
where: short stacking energy: -214.126
Base-Backbone interact. energy: -1.312
local terms energy: -226.522290
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -44.090
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -63.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -649.672954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.672954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.672954 (E_RNA)
where:
Base-Base interactions energy: -435.200
where: short stacking energy: -194.589
Base-Backbone interact. energy: -0.911
local terms energy: -213.562282
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -36.134
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -63.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -614.528092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.528092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.528092 (E_RNA)
where:
Base-Base interactions energy: -396.444
where: short stacking energy: -177.128
Base-Backbone interact. energy: -0.937
local terms energy: -217.146998
where:
bonds (distance) C4'-P energy: -39.785
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -43.617
flat angles P-C4'-P energy: -33.308
tors. eta vs tors. theta energy: -56.973
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: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -576.041849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.041849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.041849 (E_RNA)
where:
Base-Base interactions energy: -382.108
where: short stacking energy: -183.537
Base-Backbone interact. energy: -0.968
local terms energy: -192.966258
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -41.412
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -50.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -541.999262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.999262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.999262 (E_RNA)
where:
Base-Base interactions energy: -355.059
where: short stacking energy: -147.122
Base-Backbone interact. energy: -2.187
local terms energy: -184.753976
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -44.953
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -44.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -391.799341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.799341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.799341 (E_RNA)
where:
Base-Base interactions energy: -232.482
where: short stacking energy: -117.896
Base-Backbone interact. energy: -1.340
local terms energy: -157.976908
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -37.569
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -320.199143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.199143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.199143 (E_RNA)
where:
Base-Base interactions energy: -177.957
where: short stacking energy: -78.215
Base-Backbone interact. energy: 0.100
local terms energy: -142.342597
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -244.312079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.312079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.312079 (E_RNA)
where:
Base-Base interactions energy: -118.207
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.198
local terms energy: -125.907045
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -38.136
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -191.027510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.027510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.027510 (E_RNA)
where:
Base-Base interactions energy: -92.753
where: short stacking energy: -56.019
Base-Backbone interact. energy: 0.495
local terms energy: -98.769592
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: 3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -173.111341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.111341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.111341 (E_RNA)
where:
Base-Base interactions energy: -54.945
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.907
local terms energy: -117.260067
where:
bonds (distance) C4'-P energy: -37.602
bonds (distance) P-C4' energy: -39.344
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: 9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -669.246523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.246523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.246523 (E_RNA)
where:
Base-Base interactions energy: -438.438
where: short stacking energy: -204.077
Base-Backbone interact. energy: -0.765
local terms energy: -230.043592
where:
bonds (distance) C4'-P energy: -42.920
bonds (distance) P-C4' energy: -39.122
flat angles C4'-P-C4' energy: -47.791
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -66.742
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: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -660.942970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.942970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.942970 (E_RNA)
where:
Base-Base interactions energy: -463.191
where: short stacking energy: -193.407
Base-Backbone interact. energy: -0.686
local terms energy: -197.065381
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -60.236
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: 63
Temperature: 1.000000
Total energy: -614.084502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.084502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.084502 (E_RNA)
where:
Base-Base interactions energy: -402.377
where: short stacking energy: -183.835
Base-Backbone interact. energy: -1.164
local terms energy: -210.543507
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -46.703
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -63.163
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: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -582.739624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.739624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.739624 (E_RNA)
where:
Base-Base interactions energy: -383.936
where: short stacking energy: -186.118
Base-Backbone interact. energy: -0.819
local terms energy: -197.984683
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -40.922
flat angles C4'-P-C4' energy: -43.877
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -53.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -525.416248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.416248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.416248 (E_RNA)
where:
Base-Base interactions energy: -339.111
where: short stacking energy: -139.551
Base-Backbone interact. energy: -0.862
local terms energy: -185.443266
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -40.135
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -380.069397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.069397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.069397 (E_RNA)
where:
Base-Base interactions energy: -227.797
where: short stacking energy: -108.751
Base-Backbone interact. energy: -0.332
local terms energy: -151.939742
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -302.920564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.920564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.920564 (E_RNA)
where:
Base-Base interactions energy: -152.240
where: short stacking energy: -87.051
Base-Backbone interact. energy: -0.243
local terms energy: -150.437178
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -38.128
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -202.029902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.029902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.029902 (E_RNA)
where:
Base-Base interactions energy: -87.010
where: short stacking energy: -47.473
Base-Backbone interact. energy: -0.017
local terms energy: -115.003100
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: 7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -192.378209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.378209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.378209 (E_RNA)
where:
Base-Base interactions energy: -67.696
where: short stacking energy: -53.745
Base-Backbone interact. energy: 1.756
local terms energy: -126.438120
where:
bonds (distance) C4'-P energy: -37.711
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -6.588
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: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -183.457423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.457423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.457423 (E_RNA)
where:
Base-Base interactions energy: -65.403
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.641
local terms energy: -117.413449
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -34.400
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -672.674338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.674338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.674338 (E_RNA)
where:
Base-Base interactions energy: -445.564
where: short stacking energy: -207.763
Base-Backbone interact. energy: -0.387
local terms energy: -226.723931
where:
bonds (distance) C4'-P energy: -39.289
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -48.492
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -69.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -654.183791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.183791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.183791 (E_RNA)
where:
Base-Base interactions energy: -451.721
where: short stacking energy: -189.578
Base-Backbone interact. energy: -0.425
local terms energy: -202.037910
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -42.794
flat angles C4'-P-C4' energy: -38.598
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -59.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -609.689633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.689633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.689633 (E_RNA)
where:
Base-Base interactions energy: -403.239
where: short stacking energy: -176.235
Base-Backbone interact. energy: -1.001
local terms energy: -205.449491
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -59.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -583.219777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.219777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.219777 (E_RNA)
where:
Base-Base interactions energy: -393.766
where: short stacking energy: -178.385
Base-Backbone interact. energy: -0.038
local terms energy: -189.414965
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -50.316
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -531.612341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.612341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.612341 (E_RNA)
where:
Base-Base interactions energy: -348.697
where: short stacking energy: -152.138
Base-Backbone interact. energy: 1.203
local terms energy: -184.117874
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -29.162
tors. eta vs tors. theta energy: -44.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -379.793248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.793248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.793248 (E_RNA)
where:
Base-Base interactions energy: -229.064
where: short stacking energy: -109.491
Base-Backbone interact. energy: -0.077
local terms energy: -150.651869
where:
bonds (distance) C4'-P energy: -37.869
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -15.013
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: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -214.071967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.071967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.071967 (E_RNA)
where:
Base-Base interactions energy: -74.837
where: short stacking energy: -62.738
Base-Backbone interact. energy: 1.496
local terms energy: -140.731328
where:
bonds (distance) C4'-P energy: -36.067
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -5.814
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: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -271.266984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.266984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.266984 (E_RNA)
where:
Base-Base interactions energy: -138.281
where: short stacking energy: -84.699
Base-Backbone interact. energy: 2.066
local terms energy: -135.052417
where:
bonds (distance) C4'-P energy: -30.482
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -8.509
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: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -173.813918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.813918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.813918 (E_RNA)
where:
Base-Base interactions energy: -49.567
where: short stacking energy: -33.514
Base-Backbone interact. energy: 2.152
local terms energy: -126.399877
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -178.758751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.758751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.758751 (E_RNA)
where:
Base-Base interactions energy: -68.429
where: short stacking energy: -43.458
Base-Backbone interact. energy: 1.977
local terms energy: -112.306041
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -40.928
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: 6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -656.734550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.734550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.734550 (E_RNA)
where:
Base-Base interactions energy: -437.258
where: short stacking energy: -208.199
Base-Backbone interact. energy: -0.878
local terms energy: -218.597871
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -48.644
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: -66.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -669.063612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.063612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.063612 (E_RNA)
where:
Base-Base interactions energy: -461.140
where: short stacking energy: -192.013
Base-Backbone interact. energy: 0.007
local terms energy: -207.930874
where:
bonds (distance) C4'-P energy: -39.167
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -57.893
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: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -601.590993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.590993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.590993 (E_RNA)
where:
Base-Base interactions energy: -402.824
where: short stacking energy: -179.432
Base-Backbone interact. energy: -0.164
local terms energy: -198.603297
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -43.415
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -57.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -574.440874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.440874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.440874 (E_RNA)
where:
Base-Base interactions energy: -384.406
where: short stacking energy: -185.142
Base-Backbone interact. energy: -0.449
local terms energy: -189.585501
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -54.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -529.447955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.447955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.447955 (E_RNA)
where:
Base-Base interactions energy: -346.686
where: short stacking energy: -145.250
Base-Backbone interact. energy: -0.337
local terms energy: -182.424941
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -32.495
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -28.076
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: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -367.670933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.670933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.670933 (E_RNA)
where:
Base-Base interactions energy: -223.307
where: short stacking energy: -96.842
Base-Backbone interact. energy: -1.959
local terms energy: -142.404221
where:
bonds (distance) C4'-P energy: -36.667
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -16.257
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: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -205.606866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.606866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606866 (E_RNA)
where:
Base-Base interactions energy: -73.008
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.066
local terms energy: -132.533470
where:
bonds (distance) C4'-P energy: -25.751
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -265.774322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.774322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.774322 (E_RNA)
where:
Base-Base interactions energy: -128.121
where: short stacking energy: -74.578
Base-Backbone interact. energy: 0.777
local terms energy: -138.430127
where:
bonds (distance) C4'-P energy: -45.230
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -174.634639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.634639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.634639 (E_RNA)
where:
Base-Base interactions energy: -62.232
where: short stacking energy: -51.122
Base-Backbone interact. energy: 2.317
local terms energy: -114.719657
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: 7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -205.184976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.184976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.184976 (E_RNA)
where:
Base-Base interactions energy: -85.002
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.848
local terms energy: -119.335125
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: 6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -683.060268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.060268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.060268 (E_RNA)
where:
Base-Base interactions energy: -455.034
where: short stacking energy: -218.558
Base-Backbone interact. energy: -0.135
local terms energy: -227.891220
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -47.407
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -73.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -660.787983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.787983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.787983 (E_RNA)
where:
Base-Base interactions energy: -446.620
where: short stacking energy: -206.451
Base-Backbone interact. energy: 0.422
local terms energy: -214.589898
where:
bonds (distance) C4'-P energy: -40.028
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -47.074
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -57.916
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: 66
Temperature: 1.000000
Total energy: -598.932812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.932812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.932812 (E_RNA)
where:
Base-Base interactions energy: -397.760
where: short stacking energy: -176.501
Base-Backbone interact. energy: -0.519
local terms energy: -200.653753
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -42.962
flat angles C4'-P-C4' energy: -35.381
flat angles P-C4'-P energy: -27.691
tors. eta vs tors. theta energy: -58.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -577.566769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.566769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.566769 (E_RNA)
where:
Base-Base interactions energy: -374.586
where: short stacking energy: -174.799
Base-Backbone interact. energy: 0.588
local terms energy: -203.568191
where:
bonds (distance) C4'-P energy: -40.531
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -45.973
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -49.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -544.534499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.534499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.534499 (E_RNA)
where:
Base-Base interactions energy: -358.560
where: short stacking energy: -163.785
Base-Backbone interact. energy: -0.256
local terms energy: -185.718481
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -38.684
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -49.855
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: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -381.032335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.032335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.032335 (E_RNA)
where:
Base-Base interactions energy: -213.303
where: short stacking energy: -113.654
Base-Backbone interact. energy: -1.232
local terms energy: -166.497336
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -281.473179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.473179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.473179 (E_RNA)
where:
Base-Base interactions energy: -145.664
where: short stacking energy: -84.676
Base-Backbone interact. energy: 1.206
local terms energy: -137.014544
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -214.138139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.138139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.138139 (E_RNA)
where:
Base-Base interactions energy: -83.358
where: short stacking energy: -80.191
Base-Backbone interact. energy: -0.870
local terms energy: -129.909498
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -191.076622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.076622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.076622 (E_RNA)
where:
Base-Base interactions energy: -91.650
where: short stacking energy: -66.945
Base-Backbone interact. energy: 1.125
local terms energy: -100.551610
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -33.216
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -196.451919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.451919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.451919 (E_RNA)
where:
Base-Base interactions energy: -78.875
where: short stacking energy: -44.735
Base-Backbone interact. energy: 0.183
local terms energy: -117.760343
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -35.371
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -664.212571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.212571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.212571 (E_RNA)
where:
Base-Base interactions energy: -440.904
where: short stacking energy: -216.621
Base-Backbone interact. energy: -0.611
local terms energy: -222.697931
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -48.955
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -68.935
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -653.765878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.765878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.765878 (E_RNA)
where:
Base-Base interactions energy: -442.705
where: short stacking energy: -187.207
Base-Backbone interact. energy: -1.379
local terms energy: -209.682655
where:
bonds (distance) C4'-P energy: -41.632
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -55.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -600.887021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.887021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.887021 (E_RNA)
where:
Base-Base interactions energy: -398.093
where: short stacking energy: -167.227
Base-Backbone interact. energy: 0.225
local terms energy: -203.019042
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -27.552
tors. eta vs tors. theta energy: -52.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -534.814116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.814116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.814116 (E_RNA)
where:
Base-Base interactions energy: -352.674
where: short stacking energy: -159.842
Base-Backbone interact. energy: 2.294
local terms energy: -184.433498
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -42.548
flat angles C4'-P-C4' energy: -41.250
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -42.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -573.528578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.528578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.528578 (E_RNA)
where:
Base-Base interactions energy: -360.030
where: short stacking energy: -172.942
Base-Backbone interact. energy: -0.638
local terms energy: -212.860195
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -56.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -388.315279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.315279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.315279 (E_RNA)
where:
Base-Base interactions energy: -244.773
where: short stacking energy: -131.879
Base-Backbone interact. energy: -1.023
local terms energy: -142.518677
where:
bonds (distance) C4'-P energy: -34.693
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -20.354
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: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -294.113316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.113316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.113316 (E_RNA)
where:
Base-Base interactions energy: -149.091
where: short stacking energy: -86.522
Base-Backbone interact. energy: -0.173
local terms energy: -144.848689
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -188.493578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.493578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.493578 (E_RNA)
where:
Base-Base interactions energy: -66.223
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.231
local terms energy: -122.039637
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -27.163
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -184.572207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.572207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.572207 (E_RNA)
where:
Base-Base interactions energy: -65.667
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.148
local terms energy: -118.757661
where:
bonds (distance) C4'-P energy: -36.122
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: 0.543
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -176.744258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.744258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.744258 (E_RNA)
where:
Base-Base interactions energy: -51.474
where: short stacking energy: -40.563
Base-Backbone interact. energy: -0.619
local terms energy: -124.651127
where:
bonds (distance) C4'-P energy: -34.419
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -674.451863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.451863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.451863 (E_RNA)
where:
Base-Base interactions energy: -456.062
where: short stacking energy: -190.784
Base-Backbone interact. energy: -0.453
local terms energy: -217.936903
where:
bonds (distance) C4'-P energy: -44.710
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -49.283
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -60.790
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: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -660.520195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.520195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.520195 (E_RNA)
where:
Base-Base interactions energy: -437.262
where: short stacking energy: -206.183
Base-Backbone interact. energy: -1.556
local terms energy: -221.702421
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -37.689
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -65.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -588.033377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.033377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.033377 (E_RNA)
where:
Base-Base interactions energy: -393.833
where: short stacking energy: -169.042
Base-Backbone interact. energy: -0.751
local terms energy: -193.449010
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -51.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -587.675579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.675579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.675579 (E_RNA)
where:
Base-Base interactions energy: -392.738
where: short stacking energy: -156.118
Base-Backbone interact. energy: 0.015
local terms energy: -194.953255
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -41.805
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: -46.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -564.198116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.198116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.198116 (E_RNA)
where:
Base-Base interactions energy: -360.846
where: short stacking energy: -168.321
Base-Backbone interact. energy: -1.363
local terms energy: -201.989022
where:
bonds (distance) C4'-P energy: -35.947
bonds (distance) P-C4' energy: -37.813
flat angles C4'-P-C4' energy: -37.514
flat angles P-C4'-P energy: -34.273
tors. eta vs tors. theta energy: -56.442
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: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -405.964671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.964671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.964671 (E_RNA)
where:
Base-Base interactions energy: -250.366
where: short stacking energy: -117.828
Base-Backbone interact. energy: -0.958
local terms energy: -154.639943
where:
bonds (distance) C4'-P energy: -33.275
bonds (distance) P-C4' energy: -38.662
flat angles C4'-P-C4' energy: -39.530
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -305.853714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.853714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.853714 (E_RNA)
where:
Base-Base interactions energy: -163.825
where: short stacking energy: -90.349
Base-Backbone interact. energy: -0.281
local terms energy: -141.748141
where:
bonds (distance) C4'-P energy: -39.199
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -194.655278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.655278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655278 (E_RNA)
where:
Base-Base interactions energy: -72.209
where: short stacking energy: -66.404
Base-Backbone interact. energy: 2.435
local terms energy: -124.881752
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -42.015
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -202.588099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.588099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.588099 (E_RNA)
where:
Base-Base interactions energy: -82.784
where: short stacking energy: -75.103
Base-Backbone interact. energy: -1.617
local terms energy: -118.186392
where:
bonds (distance) C4'-P energy: -29.143
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -13.254
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: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -167.746377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.746377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.746377 (E_RNA)
where:
Base-Base interactions energy: -41.699
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.694
local terms energy: -125.354215
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: 1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -673.003650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.003650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.003650 (E_RNA)
where:
Base-Base interactions energy: -463.983
where: short stacking energy: -203.627
Base-Backbone interact. energy: -0.220
local terms energy: -208.800697
where:
bonds (distance) C4'-P energy: -34.965
bonds (distance) P-C4' energy: -42.334
flat angles C4'-P-C4' energy: -42.379
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -59.937
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: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -651.715077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.715077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.715077 (E_RNA)
where:
Base-Base interactions energy: -435.005
where: short stacking energy: -193.655
Base-Backbone interact. energy: -0.723
local terms energy: -215.987204
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -45.104
flat angles C4'-P-C4' energy: -44.803
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -58.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -634.353360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.353360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.353360 (E_RNA)
where:
Base-Base interactions energy: -423.211
where: short stacking energy: -200.706
Base-Backbone interact. energy: -0.765
local terms energy: -210.377898
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -30.030
tors. eta vs tors. theta energy: -63.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -567.860848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.860848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.860848 (E_RNA)
where:
Base-Base interactions energy: -360.499
where: short stacking energy: -163.548
Base-Backbone interact. energy: -0.295
local terms energy: -207.067371
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -36.921
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -34.536
tors. eta vs tors. theta energy: -52.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -571.853329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.853329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.853329 (E_RNA)
where:
Base-Base interactions energy: -390.835
where: short stacking energy: -172.755
Base-Backbone interact. energy: -0.152
local terms energy: -180.866014
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -38.728
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -52.727
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: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -390.677247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.677247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.677247 (E_RNA)
where:
Base-Base interactions energy: -234.494
where: short stacking energy: -102.762
Base-Backbone interact. energy: -1.036
local terms energy: -155.147040
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -36.519
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -21.502
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: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -306.372852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.372852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.372852 (E_RNA)
where:
Base-Base interactions energy: -148.062
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.597
local terms energy: -157.714069
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -44.888
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -196.777370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.777370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.777370 (E_RNA)
where:
Base-Base interactions energy: -75.533
where: short stacking energy: -60.142
Base-Backbone interact. energy: 1.173
local terms energy: -122.417549
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: 2.225
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: 69
Temperature: 1.300000
Total energy: -180.570737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.570737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.570737 (E_RNA)
where:
Base-Base interactions energy: -65.153
where: short stacking energy: -52.022
Base-Backbone interact. energy: 0.124
local terms energy: -115.541547
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -203.303235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.303235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.303235 (E_RNA)
where:
Base-Base interactions energy: -78.343
where: short stacking energy: -63.127
Base-Backbone interact. energy: 0.045
local terms energy: -125.005767
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -41.398
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -0.574
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: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -664.894651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.894651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.894651 (E_RNA)
where:
Base-Base interactions energy: -453.484
where: short stacking energy: -199.554
Base-Backbone interact. energy: -0.541
local terms energy: -210.869518
where:
bonds (distance) C4'-P energy: -38.964
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -58.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -655.826709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.826709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.826709 (E_RNA)
where:
Base-Base interactions energy: -425.232
where: short stacking energy: -202.999
Base-Backbone interact. energy: -0.348
local terms energy: -230.246356
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -44.929
flat angles P-C4'-P energy: -33.276
tors. eta vs tors. theta energy: -69.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -622.821105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.821105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.821105 (E_RNA)
where:
Base-Base interactions energy: -401.827
where: short stacking energy: -178.050
Base-Backbone interact. energy: -0.601
local terms energy: -220.393484
where:
bonds (distance) C4'-P energy: -41.408
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -60.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -585.441875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.441875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.441875 (E_RNA)
where:
Base-Base interactions energy: -372.688
where: short stacking energy: -161.951
Base-Backbone interact. energy: -0.999
local terms energy: -211.755119
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -44.332
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -56.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -554.638564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.638564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.638564 (E_RNA)
where:
Base-Base interactions energy: -363.207
where: short stacking energy: -167.601
Base-Backbone interact. energy: -1.229
local terms energy: -190.203212
where:
bonds (distance) C4'-P energy: -31.438
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -41.882
flat angles P-C4'-P energy: -31.619
tors. eta vs tors. theta energy: -47.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -402.915059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.915059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.915059 (E_RNA)
where:
Base-Base interactions energy: -254.195
where: short stacking energy: -112.621
Base-Backbone interact. energy: -0.379
local terms energy: -148.341909
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -41.660
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -318.252117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.252117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.252117 (E_RNA)
where:
Base-Base interactions energy: -171.423
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.566
local terms energy: -146.262423
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -35.546
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -15.768
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: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -207.145645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.145645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.145645 (E_RNA)
where:
Base-Base interactions energy: -86.639
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.156
local terms energy: -120.350577
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -40.293
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -8.143
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: 70
Temperature: 1.300000
Total energy: -217.074975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.074975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.074975 (E_RNA)
where:
Base-Base interactions energy: -106.973
where: short stacking energy: -55.414
Base-Backbone interact. energy: 2.612
local terms energy: -112.713572
where:
bonds (distance) C4'-P energy: -32.790
bonds (distance) P-C4' energy: -36.111
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -182.459489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.459489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.459489 (E_RNA)
where:
Base-Base interactions energy: -57.277
where: short stacking energy: -54.418
Base-Backbone interact. energy: -1.620
local terms energy: -123.561881
where:
bonds (distance) C4'-P energy: -34.540
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -659.278452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.278452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.278452 (E_RNA)
where:
Base-Base interactions energy: -443.120
where: short stacking energy: -195.437
Base-Backbone interact. energy: -0.794
local terms energy: -215.364725
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -48.265
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -56.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -656.444710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.444710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.444710 (E_RNA)
where:
Base-Base interactions energy: -448.222
where: short stacking energy: -201.130
Base-Backbone interact. energy: -0.171
local terms energy: -208.052013
where:
bonds (distance) C4'-P energy: -43.201
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -44.430
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -60.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -637.156750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.156750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.156750 (E_RNA)
where:
Base-Base interactions energy: -424.205
where: short stacking energy: -199.648
Base-Backbone interact. energy: -0.014
local terms energy: -212.937044
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -43.837
flat angles P-C4'-P energy: -32.998
tors. eta vs tors. theta energy: -61.754
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: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -581.420169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.420169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.420169 (E_RNA)
where:
Base-Base interactions energy: -380.677
where: short stacking energy: -175.471
Base-Backbone interact. energy: -0.965
local terms energy: -199.777388
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -41.132
flat angles C4'-P-C4' energy: -41.506
flat angles P-C4'-P energy: -26.908
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: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -564.541800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.541800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.541800 (E_RNA)
where:
Base-Base interactions energy: -371.726
where: short stacking energy: -155.744
Base-Backbone interact. energy: -0.373
local terms energy: -192.443529
where:
bonds (distance) C4'-P energy: -37.225
bonds (distance) P-C4' energy: -39.548
flat angles C4'-P-C4' energy: -39.327
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -47.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -348.746229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.746229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.746229 (E_RNA)
where:
Base-Base interactions energy: -209.103
where: short stacking energy: -102.089
Base-Backbone interact. energy: 0.031
local terms energy: -139.674751
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -39.437
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -19.725
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: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -335.902064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.902064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.902064 (E_RNA)
where:
Base-Base interactions energy: -198.654
where: short stacking energy: -90.071
Base-Backbone interact. energy: -0.298
local terms energy: -136.950251
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -35.110
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -190.768120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.768120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.768120 (E_RNA)
where:
Base-Base interactions energy: -73.081
where: short stacking energy: -60.328
Base-Backbone interact. energy: 0.105
local terms energy: -117.791385
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: 6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -231.586025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.586025 (E_RNA)
where:
Base-Base interactions energy: -98.079
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.650
local terms energy: -132.857438
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -167.888760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.888760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.888760 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -37.937
Base-Backbone interact. energy: -1.347
local terms energy: -112.982013
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: 12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -677.776855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.776855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.776855 (E_RNA)
where:
Base-Base interactions energy: -462.535
where: short stacking energy: -196.186
Base-Backbone interact. energy: 1.237
local terms energy: -216.479319
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -32.071
tors. eta vs tors. theta energy: -59.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -648.527845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.527845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.527845 (E_RNA)
where:
Base-Base interactions energy: -430.705
where: short stacking energy: -185.145
Base-Backbone interact. energy: -0.642
local terms energy: -217.181331
where:
bonds (distance) C4'-P energy: -42.994
bonds (distance) P-C4' energy: -39.052
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: -63.783
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -633.329647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.329647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.329647 (E_RNA)
where:
Base-Base interactions energy: -409.377
where: short stacking energy: -178.908
Base-Backbone interact. energy: -0.322
local terms energy: -223.631121
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -58.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -591.835389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.835389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.835389 (E_RNA)
where:
Base-Base interactions energy: -391.994
where: short stacking energy: -179.335
Base-Backbone interact. energy: -0.703
local terms energy: -199.138160
where:
bonds (distance) C4'-P energy: -34.511
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -56.485
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: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -573.405518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.405518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.405518 (E_RNA)
where:
Base-Base interactions energy: -390.626
where: short stacking energy: -164.550
Base-Backbone interact. energy: -1.010
local terms energy: -181.769189
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -44.093
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -50.809
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: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -355.493068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.493068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.493068 (E_RNA)
where:
Base-Base interactions energy: -207.582
where: short stacking energy: -88.953
Base-Backbone interact. energy: -1.529
local terms energy: -146.381787
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -347.042624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.042624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.042624 (E_RNA)
where:
Base-Base interactions energy: -207.854
where: short stacking energy: -93.175
Base-Backbone interact. energy: 2.366
local terms energy: -141.554811
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -38.182
flat angles C4'-P-C4' energy: -38.052
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -195.957369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.957369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.957369 (E_RNA)
where:
Base-Base interactions energy: -67.071
where: short stacking energy: -56.894
Base-Backbone interact. energy: 0.547
local terms energy: -129.432658
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -15.605
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: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -188.289997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.289997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.289997 (E_RNA)
where:
Base-Base interactions energy: -65.711
where: short stacking energy: -37.781
Base-Backbone interact. energy: -0.483
local terms energy: -122.096027
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -42.627
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: 4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -158.341801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.341801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.341801 (E_RNA)
where:
Base-Base interactions energy: -46.896
where: short stacking energy: -43.151
Base-Backbone interact. energy: 2.159
local terms energy: -113.604502
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -670.612403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.612403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.612403 (E_RNA)
where:
Base-Base interactions energy: -449.542
where: short stacking energy: -194.168
Base-Backbone interact. energy: -0.811
local terms energy: -220.259827
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -37.472
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -65.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -651.501596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.501596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.501596 (E_RNA)
where:
Base-Base interactions energy: -441.224
where: short stacking energy: -179.462
Base-Backbone interact. energy: -0.476
local terms energy: -209.801585
where:
bonds (distance) C4'-P energy: -37.221
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -43.062
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: -51.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -620.578250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.578250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.578250 (E_RNA)
where:
Base-Base interactions energy: -411.309
where: short stacking energy: -189.743
Base-Backbone interact. energy: -0.132
local terms energy: -209.137091
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -35.510
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -64.603
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: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -626.579953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.579953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.579953 (E_RNA)
where:
Base-Base interactions energy: -419.120
where: short stacking energy: -191.466
Base-Backbone interact. energy: -0.413
local terms energy: -207.046753
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -47.655
flat angles P-C4'-P energy: -28.969
tors. eta vs tors. theta energy: -60.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -562.990289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.990289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.990289 (E_RNA)
where:
Base-Base interactions energy: -375.164
where: short stacking energy: -159.216
Base-Backbone interact. energy: 1.644
local terms energy: -189.470413
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -40.341
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -47.116
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: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -381.706305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.706305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.706305 (E_RNA)
where:
Base-Base interactions energy: -219.664
where: short stacking energy: -114.649
Base-Backbone interact. energy: 0.263
local terms energy: -162.305867
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -374.460816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.460816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.460816 (E_RNA)
where:
Base-Base interactions energy: -225.040
where: short stacking energy: -138.543
Base-Backbone interact. energy: -0.946
local terms energy: -148.474870
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -33.458
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: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -222.745308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.745308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.745308 (E_RNA)
where:
Base-Base interactions energy: -83.875
where: short stacking energy: -67.406
Base-Backbone interact. energy: 1.189
local terms energy: -140.059391
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -38.090
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -183.390733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.390733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.390733 (E_RNA)
where:
Base-Base interactions energy: -55.969
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.555
local terms energy: -126.866741
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -163.291934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.291934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.291934 (E_RNA)
where:
Base-Base interactions energy: -60.511
where: short stacking energy: -36.842
Base-Backbone interact. energy: -1.235
local terms energy: -101.545318
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: 9.617
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: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -665.724568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.724568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.724568 (E_RNA)
where:
Base-Base interactions energy: -459.504
where: short stacking energy: -191.960
Base-Backbone interact. energy: 0.466
local terms energy: -206.686419
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -41.951
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -653.830919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.830919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.830919 (E_RNA)
where:
Base-Base interactions energy: -442.529
where: short stacking energy: -207.795
Base-Backbone interact. energy: -1.011
local terms energy: -210.290558
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -63.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -608.646875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.646875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.646875 (E_RNA)
where:
Base-Base interactions energy: -400.506
where: short stacking energy: -179.610
Base-Backbone interact. energy: -0.092
local terms energy: -208.048371
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -38.687
flat angles C4'-P-C4' energy: -44.157
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -61.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -596.505841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.505841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.505841 (E_RNA)
where:
Base-Base interactions energy: -387.041
where: short stacking energy: -178.307
Base-Backbone interact. energy: 0.534
local terms energy: -209.998571
where:
bonds (distance) C4'-P energy: -42.563
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -58.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -569.799670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.799670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.799670 (E_RNA)
where:
Base-Base interactions energy: -371.187
where: short stacking energy: -162.946
Base-Backbone interact. energy: 0.404
local terms energy: -199.016509
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -43.456
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -53.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -377.848165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.848165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.848165 (E_RNA)
where:
Base-Base interactions energy: -211.004
where: short stacking energy: -99.271
Base-Backbone interact. energy: -0.477
local terms energy: -166.367106
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -37.718
flat angles C4'-P-C4' energy: -39.744
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -340.858673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.858673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.858673 (E_RNA)
where:
Base-Base interactions energy: -184.472
where: short stacking energy: -107.201
Base-Backbone interact. energy: -0.376
local terms energy: -156.010719
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -34.272
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: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -198.647869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.647869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647869 (E_RNA)
where:
Base-Base interactions energy: -71.625
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.498
local terms energy: -126.524530
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -38.851
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -8.273
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: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -197.142187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.142187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.142187 (E_RNA)
where:
Base-Base interactions energy: -79.199
where: short stacking energy: -63.597
Base-Backbone interact. energy: -1.358
local terms energy: -116.585127
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -5.932
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: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -175.603439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.603439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.603439 (E_RNA)
where:
Base-Base interactions energy: -65.094
where: short stacking energy: -55.375
Base-Backbone interact. energy: -1.429
local terms energy: -109.081197
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -38.107
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: 6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -660.897227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.897227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.897227 (E_RNA)
where:
Base-Base interactions energy: -454.094
where: short stacking energy: -181.423
Base-Backbone interact. energy: 1.509
local terms energy: -208.312190
where:
bonds (distance) C4'-P energy: -37.755
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -47.092
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -55.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -665.962425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.962425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.962425 (E_RNA)
where:
Base-Base interactions energy: -441.134
where: short stacking energy: -203.803
Base-Backbone interact. energy: -0.462
local terms energy: -224.366741
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -39.366
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -67.591
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: 75
Temperature: 1.000000
Total energy: -606.474621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.474621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.474621 (E_RNA)
where:
Base-Base interactions energy: -406.017
where: short stacking energy: -177.718
Base-Backbone interact. energy: -0.894
local terms energy: -199.563687
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -41.737
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -55.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -595.912606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.912606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.912606 (E_RNA)
where:
Base-Base interactions energy: -397.662
where: short stacking energy: -172.656
Base-Backbone interact. energy: -1.929
local terms energy: -196.321687
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -52.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -562.384358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.384358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.384358 (E_RNA)
where:
Base-Base interactions energy: -367.366
where: short stacking energy: -168.770
Base-Backbone interact. energy: -0.119
local terms energy: -194.899335
where:
bonds (distance) C4'-P energy: -41.324
bonds (distance) P-C4' energy: -39.643
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -51.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -375.452304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.452304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.452304 (E_RNA)
where:
Base-Base interactions energy: -206.910
where: short stacking energy: -104.716
Base-Backbone interact. energy: -0.486
local terms energy: -168.055887
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -39.524
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -318.173888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.173888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.173888 (E_RNA)
where:
Base-Base interactions energy: -173.507
where: short stacking energy: -83.247
Base-Backbone interact. energy: -0.086
local terms energy: -144.581513
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -43.800
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -10.206
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: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -210.819788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.819788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.819788 (E_RNA)
where:
Base-Base interactions energy: -91.370
where: short stacking energy: -58.153
Base-Backbone interact. energy: 0.007
local terms energy: -119.456596
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -180.960456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.960456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.960456 (E_RNA)
where:
Base-Base interactions energy: -65.263
where: short stacking energy: -57.184
Base-Backbone interact. energy: -0.209
local terms energy: -115.488231
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -41.376
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -173.997704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.997704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.997704 (E_RNA)
where:
Base-Base interactions energy: -59.987
where: short stacking energy: -40.586
Base-Backbone interact. energy: 0.207
local terms energy: -114.217903
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: 2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -665.875664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.875664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.875664 (E_RNA)
where:
Base-Base interactions energy: -450.953
where: short stacking energy: -195.477
Base-Backbone interact. energy: 0.717
local terms energy: -215.639092
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -44.650
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -61.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -651.514461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.514461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.514461 (E_RNA)
where:
Base-Base interactions energy: -434.105
where: short stacking energy: -191.506
Base-Backbone interact. energy: -0.542
local terms energy: -216.866947
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -36.376
tors. eta vs tors. theta energy: -57.340
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: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -598.184228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.184228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.184228 (E_RNA)
where:
Base-Base interactions energy: -407.067
where: short stacking energy: -161.334
Base-Backbone interact. energy: 0.931
local terms energy: -192.048567
where:
bonds (distance) C4'-P energy: -33.861
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -55.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -608.686022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.686022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.686022 (E_RNA)
where:
Base-Base interactions energy: -402.976
where: short stacking energy: -165.706
Base-Backbone interact. energy: 0.364
local terms energy: -206.073838
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -60.646
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: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -570.778023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.778023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.778023 (E_RNA)
where:
Base-Base interactions energy: -386.047
where: short stacking energy: -167.487
Base-Backbone interact. energy: -0.680
local terms energy: -184.050511
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -49.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -364.530933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.530933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.530933 (E_RNA)
where:
Base-Base interactions energy: -217.403
where: short stacking energy: -99.027
Base-Backbone interact. energy: 2.193
local terms energy: -149.321579
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -21.374
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: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -336.166649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.166649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.166649 (E_RNA)
where:
Base-Base interactions energy: -192.136
where: short stacking energy: -112.361
Base-Backbone interact. energy: -2.005
local terms energy: -142.025723
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -217.385610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.385610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.385610 (E_RNA)
where:
Base-Base interactions energy: -72.439
where: short stacking energy: -41.504
Base-Backbone interact. energy: -1.976
local terms energy: -142.971091
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -37.381
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -181.150000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.150000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.150000 (E_RNA)
where:
Base-Base interactions energy: -75.161
where: short stacking energy: -58.951
Base-Backbone interact. energy: -1.182
local terms energy: -104.807245
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: 6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -159.190634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.190634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.190634 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -35.002
Base-Backbone interact. energy: -0.853
local terms energy: -116.206572
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -17.276
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -664.215727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.215727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.215727 (E_RNA)
where:
Base-Base interactions energy: -442.584
where: short stacking energy: -204.232
Base-Backbone interact. energy: -0.274
local terms energy: -221.357611
where:
bonds (distance) C4'-P energy: -37.652
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -64.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -650.534970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.534970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.534970 (E_RNA)
where:
Base-Base interactions energy: -432.084
where: short stacking energy: -185.343
Base-Backbone interact. energy: -0.709
local terms energy: -217.741809
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -60.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -634.995587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.995587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.995587 (E_RNA)
where:
Base-Base interactions energy: -427.139
where: short stacking energy: -185.195
Base-Backbone interact. energy: -0.888
local terms energy: -206.967839
where:
bonds (distance) C4'-P energy: -41.327
bonds (distance) P-C4' energy: -46.223
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -58.660
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: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -602.519124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.519124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.519124 (E_RNA)
where:
Base-Base interactions energy: -403.660
where: short stacking energy: -178.656
Base-Backbone interact. energy: -0.395
local terms energy: -198.464729
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -32.022
tors. eta vs tors. theta energy: -51.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -548.831191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.831191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.831191 (E_RNA)
where:
Base-Base interactions energy: -364.481
where: short stacking energy: -156.535
Base-Backbone interact. energy: -0.569
local terms energy: -183.781446
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -43.527
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: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -367.220935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.220935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.220935 (E_RNA)
where:
Base-Base interactions energy: -213.648
where: short stacking energy: -102.652
Base-Backbone interact. energy: -0.473
local terms energy: -153.100361
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -47.924
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -17.556
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: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -314.192939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.192939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.192939 (E_RNA)
where:
Base-Base interactions energy: -164.841
where: short stacking energy: -102.343
Base-Backbone interact. energy: -1.245
local terms energy: -148.106453
where:
bonds (distance) C4'-P energy: -35.021
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -26.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -209.635305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.635305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.635305 (E_RNA)
where:
Base-Base interactions energy: -80.911
where: short stacking energy: -68.928
Base-Backbone interact. energy: -1.678
local terms energy: -127.045923
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -40.388
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -193.938274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.938274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.938274 (E_RNA)
where:
Base-Base interactions energy: -69.398
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.173
local terms energy: -124.367363
where:
bonds (distance) C4'-P energy: -39.270
bonds (distance) P-C4' energy: -35.665
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -22.782
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: 77
Temperature: 1.350000
Total energy: -191.697223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.697223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.697223 (E_RNA)
where:
Base-Base interactions energy: -71.045
where: short stacking energy: -51.534
Base-Backbone interact. energy: -1.902
local terms energy: -118.749918
where:
bonds (distance) C4'-P energy: -38.101
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: 4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -666.295960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.295960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.295960 (E_RNA)
where:
Base-Base interactions energy: -441.703
where: short stacking energy: -191.425
Base-Backbone interact. energy: -0.682
local terms energy: -223.911135
where:
bonds (distance) C4'-P energy: -44.900
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: -62.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -648.017842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.017842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.017842 (E_RNA)
where:
Base-Base interactions energy: -440.360
where: short stacking energy: -195.210
Base-Backbone interact. energy: -0.951
local terms energy: -206.706214
where:
bonds (distance) C4'-P energy: -39.583
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -58.724
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: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -616.159293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.159293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.159293 (E_RNA)
where:
Base-Base interactions energy: -409.647
where: short stacking energy: -169.981
Base-Backbone interact. energy: -1.791
local terms energy: -204.720798
where:
bonds (distance) C4'-P energy: -43.646
bonds (distance) P-C4' energy: -39.052
flat angles C4'-P-C4' energy: -42.788
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -51.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -610.936249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.936249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.936249 (E_RNA)
where:
Base-Base interactions energy: -395.101
where: short stacking energy: -182.634
Base-Backbone interact. energy: -0.516
local terms energy: -215.319325
where:
bonds (distance) C4'-P energy: -41.512
bonds (distance) P-C4' energy: -42.223
flat angles C4'-P-C4' energy: -43.557
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -62.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -542.995034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.995034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.995034 (E_RNA)
where:
Base-Base interactions energy: -367.359
where: short stacking energy: -159.983
Base-Backbone interact. energy: -0.140
local terms energy: -175.496350
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -49.643
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: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -369.190943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.190943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.190943 (E_RNA)
where:
Base-Base interactions energy: -220.676
where: short stacking energy: -100.950
Base-Backbone interact. energy: -0.823
local terms energy: -147.692104
where:
bonds (distance) C4'-P energy: -35.066
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -39.052
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -18.801
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -293.024435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.024435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.024435 (E_RNA)
where:
Base-Base interactions energy: -156.748
where: short stacking energy: -80.772
Base-Backbone interact. energy: -0.395
local terms energy: -135.881767
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -42.349
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -191.151035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.151035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.151035 (E_RNA)
where:
Base-Base interactions energy: -69.085
where: short stacking energy: -63.450
Base-Backbone interact. energy: 0.295
local terms energy: -122.360827
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -4.056
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: 78
Temperature: 1.300000
Total energy: -185.748853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.748853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.748853 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -44.615
Base-Backbone interact. energy: -0.436
local terms energy: -133.343461
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -170.519476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.519476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.519476 (E_RNA)
where:
Base-Base interactions energy: -44.809
where: short stacking energy: -42.563
Base-Backbone interact. energy: 0.052
local terms energy: -125.762026
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -677.273670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.273670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.273670 (E_RNA)
where:
Base-Base interactions energy: -446.588
where: short stacking energy: -201.224
Base-Backbone interact. energy: -0.518
local terms energy: -230.167179
where:
bonds (distance) C4'-P energy: -44.027
bonds (distance) P-C4' energy: -41.768
flat angles C4'-P-C4' energy: -45.771
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -65.254
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: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -646.466061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.466061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.466061 (E_RNA)
where:
Base-Base interactions energy: -439.337
where: short stacking energy: -186.340
Base-Backbone interact. energy: -0.666
local terms energy: -206.463186
where:
bonds (distance) C4'-P energy: -41.918
bonds (distance) P-C4' energy: -39.063
flat angles C4'-P-C4' energy: -41.819
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: -52.907
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: 79
Temperature: 1.000000
Total energy: -642.547827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.547827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.547827 (E_RNA)
where:
Base-Base interactions energy: -428.192
where: short stacking energy: -188.326
Base-Backbone interact. energy: -0.343
local terms energy: -214.013403
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -45.985
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -59.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -592.559944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.559944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.559944 (E_RNA)
where:
Base-Base interactions energy: -403.900
where: short stacking energy: -171.472
Base-Backbone interact. energy: -1.029
local terms energy: -187.630456
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -42.442
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -56.283
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: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -545.556789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.556789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.556789 (E_RNA)
where:
Base-Base interactions energy: -346.908
where: short stacking energy: -155.455
Base-Backbone interact. energy: -0.062
local terms energy: -198.587290
where:
bonds (distance) C4'-P energy: -36.671
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -35.858
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -390.789191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.789191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.789191 (E_RNA)
where:
Base-Base interactions energy: -246.997
where: short stacking energy: -121.095
Base-Backbone interact. energy: -0.195
local terms energy: -143.597433
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -38.837
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -304.629994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.629994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.629994 (E_RNA)
where:
Base-Base interactions energy: -167.853
where: short stacking energy: -92.021
Base-Backbone interact. energy: -1.231
local terms energy: -135.546542
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -17.726
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -239.993946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.993946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.993946 (E_RNA)
where:
Base-Base interactions energy: -118.750
where: short stacking energy: -73.382
Base-Backbone interact. energy: 1.190
local terms energy: -122.434400
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -39.071
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -169.129304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.129304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.129304 (E_RNA)
where:
Base-Base interactions energy: -48.374
where: short stacking energy: -44.779
Base-Backbone interact. energy: 0.008
local terms energy: -120.763414
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -176.419808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.419808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.419808 (E_RNA)
where:
Base-Base interactions energy: -57.985
where: short stacking energy: -60.469
Base-Backbone interact. energy: 1.378
local terms energy: -119.812677
where:
bonds (distance) C4'-P energy: -33.956
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -668.509563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.509563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.509563 (E_RNA)
where:
Base-Base interactions energy: -453.455
where: short stacking energy: -193.972
Base-Backbone interact. energy: -0.523
local terms energy: -214.531051
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -59.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -662.411683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.411683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.411683 (E_RNA)
where:
Base-Base interactions energy: -449.480
where: short stacking energy: -213.223
Base-Backbone interact. energy: -0.304
local terms energy: -212.627629
where:
bonds (distance) C4'-P energy: -41.581
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -64.490
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: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -623.932974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.932974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.932974 (E_RNA)
where:
Base-Base interactions energy: -429.835
where: short stacking energy: -182.713
Base-Backbone interact. energy: -0.385
local terms energy: -193.712896
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -39.827
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -55.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -607.377932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.377932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.377932 (E_RNA)
where:
Base-Base interactions energy: -407.354
where: short stacking energy: -177.054
Base-Backbone interact. energy: -0.511
local terms energy: -199.513118
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -40.221
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -570.453518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.453518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.453518 (E_RNA)
where:
Base-Base interactions energy: -374.864
where: short stacking energy: -172.044
Base-Backbone interact. energy: 0.195
local terms energy: -195.785116
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -40.459
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -54.861
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: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -394.151406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.151406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.151406 (E_RNA)
where:
Base-Base interactions energy: -241.852
where: short stacking energy: -113.882
Base-Backbone interact. energy: -0.644
local terms energy: -151.655198
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -39.380
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -349.270411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.270411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.270411 (E_RNA)
where:
Base-Base interactions energy: -217.247
where: short stacking energy: -93.419
Base-Backbone interact. energy: 0.343
local terms energy: -132.366908
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -243.809105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.809105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.809105 (E_RNA)
where:
Base-Base interactions energy: -113.590
where: short stacking energy: -59.888
Base-Backbone interact. energy: -1.592
local terms energy: -128.627192
where:
bonds (distance) C4'-P energy: -34.779
bonds (distance) P-C4' energy: -43.160
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -209.086883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.086883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.086883 (E_RNA)
where:
Base-Base interactions energy: -75.983
where: short stacking energy: -70.471
Base-Backbone interact. energy: 1.073
local terms energy: -134.177344
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -12.041
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: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -171.010904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.010904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.010904 (E_RNA)
where:
Base-Base interactions energy: -51.247
where: short stacking energy: -46.730
Base-Backbone interact. energy: 1.184
local terms energy: -120.947921
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -42.805
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: 9.050
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: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -655.853197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.853197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.853197 (E_RNA)
where:
Base-Base interactions energy: -446.762
where: short stacking energy: -169.471
Base-Backbone interact. energy: 0.710
local terms energy: -209.800983
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -42.270
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -59.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -664.904899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.904899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.904899 (E_RNA)
where:
Base-Base interactions energy: -457.195
where: short stacking energy: -196.208
Base-Backbone interact. energy: -0.618
local terms energy: -207.091690
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -41.373
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -63.240
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: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -644.880190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.880190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.880190 (E_RNA)
where:
Base-Base interactions energy: -438.376
where: short stacking energy: -195.424
Base-Backbone interact. energy: 0.821
local terms energy: -207.325336
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -42.425
flat angles C4'-P-C4' energy: -46.325
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -59.558
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: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -582.736466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.736466 (E_RNA)
where:
Base-Base interactions energy: -387.393
where: short stacking energy: -176.847
Base-Backbone interact. energy: -0.244
local terms energy: -195.099347
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -37.342
flat angles C4'-P-C4' energy: -39.582
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -53.729
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: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -600.856805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.856805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.856805 (E_RNA)
where:
Base-Base interactions energy: -409.738
where: short stacking energy: -180.769
Base-Backbone interact. energy: 0.406
local terms energy: -191.524908
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -28.148
tors. eta vs tors. theta energy: -54.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -386.638286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.638286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.638286 (E_RNA)
where:
Base-Base interactions energy: -232.114
where: short stacking energy: -114.414
Base-Backbone interact. energy: -0.344
local terms energy: -154.180340
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -26.418
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -371.739734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.739734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.739734 (E_RNA)
where:
Base-Base interactions energy: -213.063
where: short stacking energy: -92.362
Base-Backbone interact. energy: -1.280
local terms energy: -157.397513
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -43.198
flat angles C4'-P-C4' energy: -36.029
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -197.137547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.137547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.137547 (E_RNA)
where:
Base-Base interactions energy: -70.907
where: short stacking energy: -70.463
Base-Backbone interact. energy: 0.413
local terms energy: -126.643048
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -36.051
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -194.345907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.345907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.345907 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.320
local terms energy: -108.994631
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: 2.095
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: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -180.427375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.427375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.427375 (E_RNA)
where:
Base-Base interactions energy: -51.426
where: short stacking energy: -40.970
Base-Backbone interact. energy: 0.337
local terms energy: -129.338202
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: 1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -656.694846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.694846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.694846 (E_RNA)
where:
Base-Base interactions energy: -446.980
where: short stacking energy: -180.156
Base-Backbone interact. energy: -0.562
local terms energy: -209.152630
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -43.479
flat angles C4'-P-C4' energy: -41.345
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -54.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -653.793272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.793272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.793272 (E_RNA)
where:
Base-Base interactions energy: -429.880
where: short stacking energy: -194.013
Base-Backbone interact. energy: -1.012
local terms energy: -222.901489
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -48.622
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -62.147
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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -635.717699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.717699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.717699 (E_RNA)
where:
Base-Base interactions energy: -436.349
where: short stacking energy: -193.657
Base-Backbone interact. energy: -0.368
local terms energy: -199.001264
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -39.711
flat angles P-C4'-P energy: -40.171
tors. eta vs tors. theta energy: -59.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -570.723933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.723933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.723933 (E_RNA)
where:
Base-Base interactions energy: -363.043
where: short stacking energy: -165.360
Base-Backbone interact. energy: -0.258
local terms energy: -207.422665
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -38.975
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -54.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -576.835277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.835277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.835277 (E_RNA)
where:
Base-Base interactions energy: -381.902
where: short stacking energy: -156.010
Base-Backbone interact. energy: 0.909
local terms energy: -195.841967
where:
bonds (distance) C4'-P energy: -32.812
bonds (distance) P-C4' energy: -41.823
flat angles C4'-P-C4' energy: -45.356
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -50.120
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -453.937168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.937168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.937168 (E_RNA)
where:
Base-Base interactions energy: -285.325
where: short stacking energy: -120.762
Base-Backbone interact. energy: 0.429
local terms energy: -169.041025
where:
bonds (distance) C4'-P energy: -35.749
bonds (distance) P-C4' energy: -41.931
flat angles C4'-P-C4' energy: -41.422
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -29.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -375.211000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.211000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.211000 (E_RNA)
where:
Base-Base interactions energy: -222.479
where: short stacking energy: -106.089
Base-Backbone interact. energy: 1.653
local terms energy: -154.384456
where:
bonds (distance) C4'-P energy: -40.997
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -39.234
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -217.876024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.876024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.876024 (E_RNA)
where:
Base-Base interactions energy: -110.222
where: short stacking energy: -63.862
Base-Backbone interact. energy: -1.068
local terms energy: -106.585190
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -204.273862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.273862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.273862 (E_RNA)
where:
Base-Base interactions energy: -72.154
where: short stacking energy: -54.169
Base-Backbone interact. energy: 0.755
local terms energy: -132.875026
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -40.055
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: 3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -174.169367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.169367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.169367 (E_RNA)
where:
Base-Base interactions energy: -74.819
where: short stacking energy: -41.701
Base-Backbone interact. energy: 0.905
local terms energy: -100.255774
where:
bonds (distance) C4'-P energy: -27.387
bonds (distance) P-C4' energy: -38.588
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: 11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -658.193555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.193555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.193555 (E_RNA)
where:
Base-Base interactions energy: -447.110
where: short stacking energy: -174.409
Base-Backbone interact. energy: -1.401
local terms energy: -209.683300
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -59.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -653.807705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.807705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.807705 (E_RNA)
where:
Base-Base interactions energy: -438.937
where: short stacking energy: -184.083
Base-Backbone interact. energy: 0.153
local terms energy: -215.023872
where:
bonds (distance) C4'-P energy: -43.060
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -33.508
tors. eta vs tors. theta energy: -58.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -643.236345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.236345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.236345 (E_RNA)
where:
Base-Base interactions energy: -435.395
where: short stacking energy: -187.332
Base-Backbone interact. energy: -0.147
local terms energy: -207.693663
where:
bonds (distance) C4'-P energy: -39.432
bonds (distance) P-C4' energy: -34.362
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -59.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -600.075703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.075703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.075703 (E_RNA)
where:
Base-Base interactions energy: -395.077
where: short stacking energy: -184.443
Base-Backbone interact. energy: -0.414
local terms energy: -204.585304
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -42.029
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -60.029
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: 83
Temperature: 1.100000
Total energy: -564.369223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.369223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.369223 (E_RNA)
where:
Base-Base interactions energy: -370.467
where: short stacking energy: -169.037
Base-Backbone interact. energy: -1.365
local terms energy: -192.537363
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -51.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -444.403254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.403254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.403254 (E_RNA)
where:
Base-Base interactions energy: -271.925
where: short stacking energy: -122.027
Base-Backbone interact. energy: -1.803
local terms energy: -170.675315
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -29.276
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -352.249554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.249554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.249554 (E_RNA)
where:
Base-Base interactions energy: -196.734
where: short stacking energy: -107.074
Base-Backbone interact. energy: -0.414
local terms energy: -155.101801
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -38.922
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -16.832
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: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -188.197354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.197354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.197354 (E_RNA)
where:
Base-Base interactions energy: -70.559
where: short stacking energy: -67.611
Base-Backbone interact. energy: 2.594
local terms energy: -120.232269
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -37.111
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -200.222432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222432 (E_RNA)
where:
Base-Base interactions energy: -86.019
where: short stacking energy: -50.021
Base-Backbone interact. energy: -1.051
local terms energy: -113.152418
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -162.577356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.577356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.577356 (E_RNA)
where:
Base-Base interactions energy: -55.051
where: short stacking energy: -35.322
Base-Backbone interact. energy: 1.383
local terms energy: -108.909529
where:
bonds (distance) C4'-P energy: -41.028
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: 12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -665.479874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.479874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.479874 (E_RNA)
where:
Base-Base interactions energy: -444.596
where: short stacking energy: -197.988
Base-Backbone interact. energy: -0.287
local terms energy: -220.596835
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -41.271
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -61.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -645.928043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.928043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.928043 (E_RNA)
where:
Base-Base interactions energy: -434.098
where: short stacking energy: -179.335
Base-Backbone interact. energy: -3.206
local terms energy: -208.623876
where:
bonds (distance) C4'-P energy: -38.533
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -45.140
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: -58.762
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: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -648.330203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.330203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.330203 (E_RNA)
where:
Base-Base interactions energy: -437.658
where: short stacking energy: -192.003
Base-Backbone interact. energy: 0.205
local terms energy: -210.877930
where:
bonds (distance) C4'-P energy: -39.844
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -55.959
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: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -584.450294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.450294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.450294 (E_RNA)
where:
Base-Base interactions energy: -380.479
where: short stacking energy: -177.733
Base-Backbone interact. energy: -1.521
local terms energy: -202.451145
where:
bonds (distance) C4'-P energy: -39.205
bonds (distance) P-C4' energy: -39.792
flat angles C4'-P-C4' energy: -42.151
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -51.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -586.002931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.002931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.002931 (E_RNA)
where:
Base-Base interactions energy: -387.609
where: short stacking energy: -166.974
Base-Backbone interact. energy: -1.549
local terms energy: -196.844704
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -53.589
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: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -449.300485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.300485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.300485 (E_RNA)
where:
Base-Base interactions energy: -282.396
where: short stacking energy: -119.034
Base-Backbone interact. energy: 0.173
local terms energy: -167.078246
where:
bonds (distance) C4'-P energy: -42.220
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -37.585
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -353.903319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.903319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.903319 (E_RNA)
where:
Base-Base interactions energy: -211.398
where: short stacking energy: -99.226
Base-Backbone interact. energy: 2.284
local terms energy: -144.789474
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -38.865
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -11.140
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: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -277.876528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.876528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.876528 (E_RNA)
where:
Base-Base interactions energy: -137.724
where: short stacking energy: -70.624
Base-Backbone interact. energy: 0.491
local terms energy: -140.644253
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -196.522989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.522989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.522989 (E_RNA)
where:
Base-Base interactions energy: -89.445
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.880
local terms energy: -106.197855
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: 6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -182.335814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.335814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.335814 (E_RNA)
where:
Base-Base interactions energy: -69.611
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.271
local terms energy: -112.453473
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -29.138
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: 2.389
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: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -676.202465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.202465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.202465 (E_RNA)
where:
Base-Base interactions energy: -455.984
where: short stacking energy: -202.538
Base-Backbone interact. energy: -0.058
local terms energy: -220.160057
where:
bonds (distance) C4'-P energy: -40.740
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -63.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -645.167223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.167223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.167223 (E_RNA)
where:
Base-Base interactions energy: -439.351
where: short stacking energy: -164.447
Base-Backbone interact. energy: 0.492
local terms energy: -206.308133
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -36.441
flat angles C4'-P-C4' energy: -40.832
flat angles P-C4'-P energy: -31.825
tors. eta vs tors. theta energy: -59.944
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: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -636.007713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.007713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.007713 (E_RNA)
where:
Base-Base interactions energy: -445.478
where: short stacking energy: -169.597
Base-Backbone interact. energy: -0.626
local terms energy: -189.903373
where:
bonds (distance) C4'-P energy: -39.120
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -48.982
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: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -601.824551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.824551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.824551 (E_RNA)
where:
Base-Base interactions energy: -403.451
where: short stacking energy: -184.059
Base-Backbone interact. energy: -0.531
local terms energy: -197.842974
where:
bonds (distance) C4'-P energy: -36.267
bonds (distance) P-C4' energy: -32.728
flat angles C4'-P-C4' energy: -42.406
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -60.311
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: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -548.408147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.408147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.408147 (E_RNA)
where:
Base-Base interactions energy: -364.927
where: short stacking energy: -165.058
Base-Backbone interact. energy: -0.258
local terms energy: -183.223187
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -43.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -444.071241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.071241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.071241 (E_RNA)
where:
Base-Base interactions energy: -275.215
where: short stacking energy: -125.025
Base-Backbone interact. energy: -1.974
local terms energy: -166.882268
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -42.197
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -358.741140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.741140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.741140 (E_RNA)
where:
Base-Base interactions energy: -211.350
where: short stacking energy: -92.342
Base-Backbone interact. energy: 2.723
local terms energy: -150.114499
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -203.115214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.115214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.115214 (E_RNA)
where:
Base-Base interactions energy: -83.117
where: short stacking energy: -74.538
Base-Backbone interact. energy: -2.448
local terms energy: -117.550966
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -24.006
tors. eta vs tors. theta energy: 1.203
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: 85
Temperature: 1.300000
Total energy: -182.272054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.272054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.272054 (E_RNA)
where:
Base-Base interactions energy: -70.615
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.914
local terms energy: -110.743036
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: 5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -180.006442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.006442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.006442 (E_RNA)
where:
Base-Base interactions energy: -59.135
where: short stacking energy: -54.333
Base-Backbone interact. energy: 3.500
local terms energy: -124.371319
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -683.099487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.099487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.099487 (E_RNA)
where:
Base-Base interactions energy: -468.889
where: short stacking energy: -202.854
Base-Backbone interact. energy: -1.403
local terms energy: -212.807808
where:
bonds (distance) C4'-P energy: -37.652
bonds (distance) P-C4' energy: -40.857
flat angles C4'-P-C4' energy: -41.965
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -58.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -660.956561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.956561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.956561 (E_RNA)
where:
Base-Base interactions energy: -446.757
where: short stacking energy: -182.025
Base-Backbone interact. energy: -1.200
local terms energy: -213.000090
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -45.442
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -59.528
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: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -655.573034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.573034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.573034 (E_RNA)
where:
Base-Base interactions energy: -451.301
where: short stacking energy: -192.147
Base-Backbone interact. energy: -1.070
local terms energy: -203.201905
where:
bonds (distance) C4'-P energy: -36.691
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -44.563
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -58.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -630.967356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.967356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.967356 (E_RNA)
where:
Base-Base interactions energy: -424.143
where: short stacking energy: -182.751
Base-Backbone interact. energy: 0.653
local terms energy: -207.477074
where:
bonds (distance) C4'-P energy: -35.770
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: -62.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -558.890069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.890069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.890069 (E_RNA)
where:
Base-Base interactions energy: -356.822
where: short stacking energy: -164.432
Base-Backbone interact. energy: -1.004
local terms energy: -201.063423
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -39.699
flat angles C4'-P-C4' energy: -45.554
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -49.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -393.553262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.553262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.553262 (E_RNA)
where:
Base-Base interactions energy: -238.860
where: short stacking energy: -121.056
Base-Backbone interact. energy: -0.494
local terms energy: -154.199080
where:
bonds (distance) C4'-P energy: -38.286
bonds (distance) P-C4' energy: -35.547
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -367.410559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.410559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.410559 (E_RNA)
where:
Base-Base interactions energy: -204.516
where: short stacking energy: -100.386
Base-Backbone interact. energy: 0.453
local terms energy: -163.347871
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -41.991
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -216.078673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.078673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.078673 (E_RNA)
where:
Base-Base interactions energy: -70.790
where: short stacking energy: -68.173
Base-Backbone interact. energy: 0.735
local terms energy: -146.024223
where:
bonds (distance) C4'-P energy: -35.208
bonds (distance) P-C4' energy: -39.650
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -194.062181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.062181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.062181 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.385
local terms energy: -111.185951
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -164.159990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.159990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.159990 (E_RNA)
where:
Base-Base interactions energy: -59.173
where: short stacking energy: -48.093
Base-Backbone interact. energy: 0.273
local terms energy: -105.259923
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -12.054
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: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -660.389881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.389881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.389881 (E_RNA)
where:
Base-Base interactions energy: -452.120
where: short stacking energy: -187.361
Base-Backbone interact. energy: -1.920
local terms energy: -206.349637
where:
bonds (distance) C4'-P energy: -36.177
bonds (distance) P-C4' energy: -38.520
flat angles C4'-P-C4' energy: -44.192
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -54.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -635.538534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.538534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.538534 (E_RNA)
where:
Base-Base interactions energy: -422.305
where: short stacking energy: -201.294
Base-Backbone interact. energy: -0.528
local terms energy: -212.705696
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -42.934
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -60.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -655.388130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.388130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.388130 (E_RNA)
where:
Base-Base interactions energy: -442.796
where: short stacking energy: -192.153
Base-Backbone interact. energy: -2.496
local terms energy: -210.095460
where:
bonds (distance) C4'-P energy: -33.658
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: -65.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -608.531494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.531494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.531494 (E_RNA)
where:
Base-Base interactions energy: -409.946
where: short stacking energy: -188.772
Base-Backbone interact. energy: 2.294
local terms energy: -200.879819
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -61.262
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -551.413506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.413506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.413506 (E_RNA)
where:
Base-Base interactions energy: -360.784
where: short stacking energy: -165.443
Base-Backbone interact. energy: -1.110
local terms energy: -189.519269
where:
bonds (distance) C4'-P energy: -38.324
bonds (distance) P-C4' energy: -37.797
flat angles C4'-P-C4' energy: -43.773
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -41.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -443.345751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.345751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.345751 (E_RNA)
where:
Base-Base interactions energy: -269.469
where: short stacking energy: -111.839
Base-Backbone interact. energy: -0.220
local terms energy: -173.657346
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -39.847
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -25.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -336.399393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.399393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.399393 (E_RNA)
where:
Base-Base interactions energy: -185.524
where: short stacking energy: -88.720
Base-Backbone interact. energy: -2.706
local terms energy: -148.169383
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -42.495
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -9.888
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: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -182.463786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.463786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463786 (E_RNA)
where:
Base-Base interactions energy: -80.658
where: short stacking energy: -59.274
Base-Backbone interact. energy: 2.700
local terms energy: -104.505718
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: 5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -189.175396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.175396 (E_RNA)
where:
Base-Base interactions energy: -62.827
where: short stacking energy: -49.940
Base-Backbone interact. energy: 0.022
local terms energy: -126.370700
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -32.929
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -176.506094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.506094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.506094 (E_RNA)
where:
Base-Base interactions energy: -63.833
where: short stacking energy: -43.541
Base-Backbone interact. energy: 1.182
local terms energy: -113.855594
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: 2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -656.698068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.698068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.698068 (E_RNA)
where:
Base-Base interactions energy: -441.110
where: short stacking energy: -206.693
Base-Backbone interact. energy: -0.903
local terms energy: -214.685501
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -41.166
flat angles C4'-P-C4' energy: -44.632
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -61.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -654.494442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.494442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.494442 (E_RNA)
where:
Base-Base interactions energy: -441.931
where: short stacking energy: -194.390
Base-Backbone interact. energy: -2.224
local terms energy: -210.339512
where:
bonds (distance) C4'-P energy: -41.603
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -38.038
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -61.818
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: 88
Temperature: 1.000000
Total energy: -616.326751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.326751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.326751 (E_RNA)
where:
Base-Base interactions energy: -412.113
where: short stacking energy: -165.211
Base-Backbone interact. energy: 0.764
local terms energy: -204.977374
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -40.659
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -59.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -639.333719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.333719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.333719 (E_RNA)
where:
Base-Base interactions energy: -434.828
where: short stacking energy: -178.802
Base-Backbone interact. energy: -0.294
local terms energy: -204.211519
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -48.522
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -63.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -556.613902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.613902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.613902 (E_RNA)
where:
Base-Base interactions energy: -364.199
where: short stacking energy: -159.819
Base-Backbone interact. energy: -0.777
local terms energy: -191.637890
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -42.684
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -47.805
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: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -440.105693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.105693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.105693 (E_RNA)
where:
Base-Base interactions energy: -275.184
where: short stacking energy: -132.209
Base-Backbone interact. energy: 0.479
local terms energy: -165.400512
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -28.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -325.522675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.522675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.522675 (E_RNA)
where:
Base-Base interactions energy: -170.994
where: short stacking energy: -85.638
Base-Backbone interact. energy: -1.101
local terms energy: -153.427733
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -43.957
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -210.807436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.807436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.807436 (E_RNA)
where:
Base-Base interactions energy: -67.563
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.046
local terms energy: -143.198372
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -40.822
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -189.001662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.001662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.001662 (E_RNA)
where:
Base-Base interactions energy: -65.088
where: short stacking energy: -48.575
Base-Backbone interact. energy: 1.257
local terms energy: -125.170608
where:
bonds (distance) C4'-P energy: -38.290
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -18.283
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -188.569568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.569568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.569568 (E_RNA)
where:
Base-Base interactions energy: -68.527
where: short stacking energy: -65.544
Base-Backbone interact. energy: -0.283
local terms energy: -119.759589
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -676.356540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.356540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.356540 (E_RNA)
where:
Base-Base interactions energy: -456.266
where: short stacking energy: -201.424
Base-Backbone interact. energy: -1.531
local terms energy: -218.559417
where:
bonds (distance) C4'-P energy: -40.509
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -62.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -663.238186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.238186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.238186 (E_RNA)
where:
Base-Base interactions energy: -448.183
where: short stacking energy: -199.648
Base-Backbone interact. energy: -0.862
local terms energy: -214.193766
where:
bonds (distance) C4'-P energy: -37.441
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -67.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -619.695133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.695133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.695133 (E_RNA)
where:
Base-Base interactions energy: -419.501
where: short stacking energy: -180.863
Base-Backbone interact. energy: -0.858
local terms energy: -199.336161
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -57.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -634.833642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.833642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.833642 (E_RNA)
where:
Base-Base interactions energy: -433.441
where: short stacking energy: -171.847
Base-Backbone interact. energy: -0.404
local terms energy: -200.988185
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -46.578
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -60.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -540.598187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.598187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.598187 (E_RNA)
where:
Base-Base interactions energy: -354.578
where: short stacking energy: -162.941
Base-Backbone interact. energy: -1.314
local terms energy: -184.706240
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -41.969
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -47.590
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: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -433.741220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.741220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.741220 (E_RNA)
where:
Base-Base interactions energy: -266.768
where: short stacking energy: -113.086
Base-Backbone interact. energy: -0.970
local terms energy: -166.003411
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -29.606
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -337.988693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.988693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.988693 (E_RNA)
where:
Base-Base interactions energy: -194.690
where: short stacking energy: -119.594
Base-Backbone interact. energy: -0.393
local terms energy: -142.905640
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -201.701157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.701157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.701157 (E_RNA)
where:
Base-Base interactions energy: -85.956
where: short stacking energy: -68.795
Base-Backbone interact. energy: -0.674
local terms energy: -115.070514
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -207.081706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.081706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.081706 (E_RNA)
where:
Base-Base interactions energy: -102.229
where: short stacking energy: -56.797
Base-Backbone interact. energy: -0.423
local terms energy: -104.429862
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -2.588
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: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -165.099535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.099535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.099535 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -31.985
Base-Backbone interact. energy: -0.234
local terms energy: -115.854077
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: 8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -688.655336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.655336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.655336 (E_RNA)
where:
Base-Base interactions energy: -473.358
where: short stacking energy: -199.560
Base-Backbone interact. energy: -0.187
local terms energy: -215.109744
where:
bonds (distance) C4'-P energy: -41.599
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -58.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -661.928353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.928353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.928353 (E_RNA)
where:
Base-Base interactions energy: -438.276
where: short stacking energy: -189.854
Base-Backbone interact. energy: -0.362
local terms energy: -223.290630
where:
bonds (distance) C4'-P energy: -41.042
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -26.211
tors. eta vs tors. theta energy: -66.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -605.340566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.340566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.340566 (E_RNA)
where:
Base-Base interactions energy: -407.237
where: short stacking energy: -179.428
Base-Backbone interact. energy: -1.794
local terms energy: -196.308860
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -43.203
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -54.137
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: 90
Temperature: 1.050000
Total energy: -611.633748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.633748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.633748 (E_RNA)
where:
Base-Base interactions energy: -414.860
where: short stacking energy: -173.920
Base-Backbone interact. energy: 1.629
local terms energy: -198.402911
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -42.073
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -58.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -551.317036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.317036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.317036 (E_RNA)
where:
Base-Base interactions energy: -373.026
where: short stacking energy: -171.109
Base-Backbone interact. energy: 1.322
local terms energy: -179.613862
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -38.106
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -49.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -453.922982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.922982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.922982 (E_RNA)
where:
Base-Base interactions energy: -286.290
where: short stacking energy: -155.120
Base-Backbone interact. energy: -0.224
local terms energy: -167.408353
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -41.096
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -33.377
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: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -326.818853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.818853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.818853 (E_RNA)
where:
Base-Base interactions energy: -175.737
where: short stacking energy: -114.850
Base-Backbone interact. energy: 0.864
local terms energy: -151.945527
where:
bonds (distance) C4'-P energy: -35.965
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -25.877
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -202.680438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.680438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.680438 (E_RNA)
where:
Base-Base interactions energy: -83.197
where: short stacking energy: -46.683
Base-Backbone interact. energy: -1.670
local terms energy: -117.812796
where:
bonds (distance) C4'-P energy: -39.442
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: 2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -233.780955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.780955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.780955 (E_RNA)
where:
Base-Base interactions energy: -98.463
where: short stacking energy: -68.037
Base-Backbone interact. energy: -1.457
local terms energy: -133.860654
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -8.109
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: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -167.893637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.893637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.893637 (E_RNA)
where:
Base-Base interactions energy: -53.964
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.619
local terms energy: -113.310945
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -32.198
flat angles C4'-P-C4' energy: -35.621
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -674.831838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.831838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.831838 (E_RNA)
where:
Base-Base interactions energy: -451.686
where: short stacking energy: -181.779
Base-Backbone interact. energy: -0.728
local terms energy: -222.417730
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -44.894
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -57.842
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -658.262989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.262989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.262989 (E_RNA)
where:
Base-Base interactions energy: -435.800
where: short stacking energy: -200.974
Base-Backbone interact. energy: -0.930
local terms energy: -221.533562
where:
bonds (distance) C4'-P energy: -45.051
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -44.690
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -62.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -628.317166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.317166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.317166 (E_RNA)
where:
Base-Base interactions energy: -420.848
where: short stacking energy: -186.860
Base-Backbone interact. energy: 0.629
local terms energy: -208.097757
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -30.039
tors. eta vs tors. theta energy: -62.607
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: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -604.295288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.295288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.295288 (E_RNA)
where:
Base-Base interactions energy: -398.037
where: short stacking energy: -171.737
Base-Backbone interact. energy: 0.262
local terms energy: -206.520318
where:
bonds (distance) C4'-P energy: -38.157
bonds (distance) P-C4' energy: -42.521
flat angles C4'-P-C4' energy: -41.008
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -52.827
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -550.056076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.056076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.056076 (E_RNA)
where:
Base-Base interactions energy: -365.858
where: short stacking energy: -173.949
Base-Backbone interact. energy: -0.048
local terms energy: -184.149695
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -34.876
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -55.656
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: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -465.141633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.141633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.141633 (E_RNA)
where:
Base-Base interactions energy: -293.526
where: short stacking energy: -140.564
Base-Backbone interact. energy: -0.676
local terms energy: -170.939338
where:
bonds (distance) C4'-P energy: -31.235
bonds (distance) P-C4' energy: -38.754
flat angles C4'-P-C4' energy: -44.294
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -34.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -300.376186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.376186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.376186 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -74.929
Base-Backbone interact. energy: -0.041
local terms energy: -158.171837
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -193.608295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.608295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.608295 (E_RNA)
where:
Base-Base interactions energy: -59.877
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.834
local terms energy: -132.897299
where:
bonds (distance) C4'-P energy: -37.884
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -38.976
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: 2.600
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: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -177.329847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.329847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.329847 (E_RNA)
where:
Base-Base interactions energy: -50.662
where: short stacking energy: -48.975
Base-Backbone interact. energy: -0.576
local terms energy: -126.091468
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -37.089
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: 6.602
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: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -176.400813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.400813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.400813 (E_RNA)
where:
Base-Base interactions energy: -63.682
where: short stacking energy: -55.536
Base-Backbone interact. energy: 2.335
local terms energy: -115.053989
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: 5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -674.229207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.229207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.229207 (E_RNA)
where:
Base-Base interactions energy: -449.958
where: short stacking energy: -200.888
Base-Backbone interact. energy: -0.208
local terms energy: -224.063368
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -41.296
flat angles C4'-P-C4' energy: -51.302
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -62.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -666.063520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.063520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.063520 (E_RNA)
where:
Base-Base interactions energy: -451.687
where: short stacking energy: -186.180
Base-Backbone interact. energy: -0.996
local terms energy: -213.380410
where:
bonds (distance) C4'-P energy: -40.772
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -59.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -640.423516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.423516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.423516 (E_RNA)
where:
Base-Base interactions energy: -431.648
where: short stacking energy: -199.674
Base-Backbone interact. energy: -0.245
local terms energy: -208.530534
where:
bonds (distance) C4'-P energy: -45.447
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -42.696
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -65.413
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -589.998372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.998372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.998372 (E_RNA)
where:
Base-Base interactions energy: -387.726
where: short stacking energy: -159.191
Base-Backbone interact. energy: 0.101
local terms energy: -202.373726
where:
bonds (distance) C4'-P energy: -40.093
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -53.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -556.527778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.527778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.527778 (E_RNA)
where:
Base-Base interactions energy: -369.314
where: short stacking energy: -170.518
Base-Backbone interact. energy: -0.121
local terms energy: -187.093092
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -44.813
flat angles P-C4'-P energy: -28.292
tors. eta vs tors. theta energy: -47.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -440.355941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.355941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.355941 (E_RNA)
where:
Base-Base interactions energy: -274.418
where: short stacking energy: -127.577
Base-Backbone interact. energy: -0.248
local terms energy: -165.689712
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -32.009
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -373.473764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.473764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.473764 (E_RNA)
where:
Base-Base interactions energy: -212.811
where: short stacking energy: -116.275
Base-Backbone interact. energy: 1.854
local terms energy: -162.516982
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -40.570
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -27.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -196.610778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.610778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.610778 (E_RNA)
where:
Base-Base interactions energy: -85.838
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.210
local terms energy: -110.562490
where:
bonds (distance) C4'-P energy: -29.204
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -174.759547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.759547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.759547 (E_RNA)
where:
Base-Base interactions energy: -53.377
where: short stacking energy: -35.121
Base-Backbone interact. energy: -1.358
local terms energy: -120.024662
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: 5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -186.093672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.093672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.093672 (E_RNA)
where:
Base-Base interactions energy: -80.612
where: short stacking energy: -61.940
Base-Backbone interact. energy: 0.249
local terms energy: -105.730552
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: 3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -653.531178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.531178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.531178 (E_RNA)
where:
Base-Base interactions energy: -439.214
where: short stacking energy: -196.330
Base-Backbone interact. energy: -1.402
local terms energy: -212.915338
where:
bonds (distance) C4'-P energy: -40.772
bonds (distance) P-C4' energy: -39.444
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -32.688
tors. eta vs tors. theta energy: -60.512
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: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -642.730110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.730110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.730110 (E_RNA)
where:
Base-Base interactions energy: -429.065
where: short stacking energy: -185.626
Base-Backbone interact. energy: -0.168
local terms energy: -213.497090
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -42.022
flat angles C4'-P-C4' energy: -45.592
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -60.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -643.241457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.241457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.241457 (E_RNA)
where:
Base-Base interactions energy: -436.638
where: short stacking energy: -192.726
Base-Backbone interact. energy: -1.395
local terms energy: -205.208110
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -45.406
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -60.116
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: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -573.907209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.907209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.907209 (E_RNA)
where:
Base-Base interactions energy: -385.093
where: short stacking energy: -157.275
Base-Backbone interact. energy: -0.930
local terms energy: -187.884172
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -38.252
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -54.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -543.437305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.437305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.437305 (E_RNA)
where:
Base-Base interactions energy: -360.651
where: short stacking energy: -164.793
Base-Backbone interact. energy: 1.566
local terms energy: -184.351742
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -39.528
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -44.960
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: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -478.281235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.281235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.281235 (E_RNA)
where:
Base-Base interactions energy: -290.609
where: short stacking energy: -125.570
Base-Backbone interact. energy: -1.372
local terms energy: -186.299638
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -40.470
flat angles C4'-P-C4' energy: -39.804
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -35.380
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: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -334.057385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.057385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.057385 (E_RNA)
where:
Base-Base interactions energy: -176.464
where: short stacking energy: -100.327
Base-Backbone interact. energy: -1.099
local terms energy: -156.494404
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -23.388
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -185.129856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.129856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.129856 (E_RNA)
where:
Base-Base interactions energy: -56.036
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.495
local terms energy: -128.598743
where:
bonds (distance) C4'-P energy: -41.145
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -175.540107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.540107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.540107 (E_RNA)
where:
Base-Base interactions energy: -68.309
where: short stacking energy: -66.740
Base-Backbone interact. energy: 4.468
local terms energy: -111.699456
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -173.216693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.216693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.216693 (E_RNA)
where:
Base-Base interactions energy: -56.757
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.861
local terms energy: -115.598201
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -37.183
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: 6.030
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: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -672.909105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.909105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.909105 (E_RNA)
where:
Base-Base interactions energy: -467.835
where: short stacking energy: -203.939
Base-Backbone interact. energy: -0.585
local terms energy: -204.490001
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -46.698
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -61.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -632.536176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.536176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.536176 (E_RNA)
where:
Base-Base interactions energy: -416.569
where: short stacking energy: -189.566
Base-Backbone interact. energy: -0.058
local terms energy: -215.909311
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -46.040
flat angles P-C4'-P energy: -30.092
tors. eta vs tors. theta energy: -62.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -634.170773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.170773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.170773 (E_RNA)
where:
Base-Base interactions energy: -428.613
where: short stacking energy: -184.854
Base-Backbone interact. energy: -1.255
local terms energy: -204.303549
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -42.352
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -56.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -563.829549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.829549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.829549 (E_RNA)
where:
Base-Base interactions energy: -375.295
where: short stacking energy: -158.293
Base-Backbone interact. energy: -1.009
local terms energy: -187.525880
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -27.111
tors. eta vs tors. theta energy: -39.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -542.751047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.751047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.751047 (E_RNA)
where:
Base-Base interactions energy: -373.031
where: short stacking energy: -167.082
Base-Backbone interact. energy: 0.541
local terms energy: -170.261059
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -38.904
flat angles P-C4'-P energy: -23.329
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: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -440.341005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.341005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.341005 (E_RNA)
where:
Base-Base interactions energy: -281.668
where: short stacking energy: -125.290
Base-Backbone interact. energy: 1.010
local terms energy: -159.683254
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -305.312431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.312431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.312431 (E_RNA)
where:
Base-Base interactions energy: -156.871
where: short stacking energy: -89.732
Base-Backbone interact. energy: 1.132
local terms energy: -149.573157
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -42.525
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -188.069427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069427 (E_RNA)
where:
Base-Base interactions energy: -62.536
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.021
local terms energy: -125.512711
where:
bonds (distance) C4'-P energy: -28.612
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -25.377
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: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -184.656493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.656493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.656493 (E_RNA)
where:
Base-Base interactions energy: -72.248
where: short stacking energy: -46.907
Base-Backbone interact. energy: -0.570
local terms energy: -111.838509
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: 2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -184.279581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.279581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.279581 (E_RNA)
where:
Base-Base interactions energy: -67.352
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.057
local terms energy: -116.870719
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -18.156
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: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -676.591310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.591310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.591310 (E_RNA)
where:
Base-Base interactions energy: -456.380
where: short stacking energy: -195.515
Base-Backbone interact. energy: -0.625
local terms energy: -219.586424
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -41.683
flat angles C4'-P-C4' energy: -41.449
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -63.512
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: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -649.304141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.304141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.304141 (E_RNA)
where:
Base-Base interactions energy: -438.642
where: short stacking energy: -177.516
Base-Backbone interact. energy: -0.690
local terms energy: -209.972316
where:
bonds (distance) C4'-P energy: -38.622
bonds (distance) P-C4' energy: -38.042
flat angles C4'-P-C4' energy: -45.722
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -58.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -622.257148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.257148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.257148 (E_RNA)
where:
Base-Base interactions energy: -417.899
where: short stacking energy: -194.327
Base-Backbone interact. energy: -0.468
local terms energy: -203.890775
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -38.977
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -28.831
tors. eta vs tors. theta energy: -62.593
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -555.841930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.841930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.841930 (E_RNA)
where:
Base-Base interactions energy: -355.251
where: short stacking energy: -162.584
Base-Backbone interact. energy: -0.656
local terms energy: -199.935464
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -46.790
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: -46.096
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: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -538.113304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.113304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.113304 (E_RNA)
where:
Base-Base interactions energy: -347.608
where: short stacking energy: -158.781
Base-Backbone interact. energy: -0.281
local terms energy: -190.223386
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -36.618
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -41.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -437.407524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.407524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.407524 (E_RNA)
where:
Base-Base interactions energy: -288.885
where: short stacking energy: -115.790
Base-Backbone interact. energy: -0.665
local terms energy: -147.857338
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -332.289867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.289867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.289867 (E_RNA)
where:
Base-Base interactions energy: -171.447
where: short stacking energy: -109.768
Base-Backbone interact. energy: -0.309
local terms energy: -160.534300
where:
bonds (distance) C4'-P energy: -34.714
bonds (distance) P-C4' energy: -37.732
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -212.658534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.658534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.658534 (E_RNA)
where:
Base-Base interactions energy: -88.539
where: short stacking energy: -47.497
Base-Backbone interact. energy: 4.742
local terms energy: -128.861134
where:
bonds (distance) C4'-P energy: -34.955
bonds (distance) P-C4' energy: -39.678
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -182.154103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.154103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.154103 (E_RNA)
where:
Base-Base interactions energy: -77.470
where: short stacking energy: -59.847
Base-Backbone interact. energy: 0.919
local terms energy: -105.602986
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -181.371391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.371391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.371391 (E_RNA)
where:
Base-Base interactions energy: -64.058
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.883
local terms energy: -116.430511
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: 2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -690.647188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.647188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.647188 (E_RNA)
where:
Base-Base interactions energy: -456.791
where: short stacking energy: -210.655
Base-Backbone interact. energy: 0.664
local terms energy: -234.520613
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -42.872
flat angles C4'-P-C4' energy: -52.160
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -69.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -640.444712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.444712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.444712 (E_RNA)
where:
Base-Base interactions energy: -437.075
where: short stacking energy: -183.224
Base-Backbone interact. energy: -0.719
local terms energy: -202.651215
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -41.355
flat angles P-C4'-P energy: -29.907
tors. eta vs tors. theta energy: -55.661
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: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -634.711267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.711267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.711267 (E_RNA)
where:
Base-Base interactions energy: -415.390
where: short stacking energy: -184.035
Base-Backbone interact. energy: -0.110
local terms energy: -219.211242
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -47.944
flat angles P-C4'-P energy: -32.502
tors. eta vs tors. theta energy: -57.874
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: 96
Temperature: 1.050000
Total energy: -566.786778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.786778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.786778 (E_RNA)
where:
Base-Base interactions energy: -378.925
where: short stacking energy: -152.875
Base-Backbone interact. energy: -0.094
local terms energy: -187.768633
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -37.832
flat angles P-C4'-P energy: -29.108
tors. eta vs tors. theta energy: -43.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -549.607842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.607842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.607842 (E_RNA)
where:
Base-Base interactions energy: -353.387
where: short stacking energy: -162.995
Base-Backbone interact. energy: -0.522
local terms energy: -195.698705
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -42.263
flat angles P-C4'-P energy: -30.322
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: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -461.898688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.898688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.898688 (E_RNA)
where:
Base-Base interactions energy: -302.682
where: short stacking energy: -130.885
Base-Backbone interact. energy: -0.726
local terms energy: -158.490382
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -291.104112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.104112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.104112 (E_RNA)
where:
Base-Base interactions energy: -153.534
where: short stacking energy: -83.040
Base-Backbone interact. energy: -0.480
local terms energy: -137.089754
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -38.814
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -184.136057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.136057 (E_RNA)
where:
Base-Base interactions energy: -60.471
where: short stacking energy: -56.414
Base-Backbone interact. energy: 0.615
local terms energy: -124.279932
where:
bonds (distance) C4'-P energy: -42.610
bonds (distance) P-C4' energy: -32.200
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: 2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -193.237986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.237986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.237986 (E_RNA)
where:
Base-Base interactions energy: -67.155
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.487
local terms energy: -125.596386
where:
bonds (distance) C4'-P energy: -28.700
bonds (distance) P-C4' energy: -42.127
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -186.556412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.556412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.556412 (E_RNA)
where:
Base-Base interactions energy: -54.395
where: short stacking energy: -53.411
Base-Backbone interact. energy: -1.353
local terms energy: -130.808468
where:
bonds (distance) C4'-P energy: -46.171
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -34.786
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: 6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -680.031544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.031544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.031544 (E_RNA)
where:
Base-Base interactions energy: -452.954
where: short stacking energy: -208.161
Base-Backbone interact. energy: -0.172
local terms energy: -226.905596
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -39.563
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -65.962
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: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -634.458842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.458842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.458842 (E_RNA)
where:
Base-Base interactions energy: -428.007
where: short stacking energy: -190.805
Base-Backbone interact. energy: 0.481
local terms energy: -206.932569
where:
bonds (distance) C4'-P energy: -39.985
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -37.884
flat angles P-C4'-P energy: -31.808
tors. eta vs tors. theta energy: -59.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -623.411007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.411007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.411007 (E_RNA)
where:
Base-Base interactions energy: -417.225
where: short stacking energy: -193.860
Base-Backbone interact. energy: 0.377
local terms energy: -206.563128
where:
bonds (distance) C4'-P energy: -41.204
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -31.000
tors. eta vs tors. theta energy: -60.621
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: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -582.293480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.293480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.293480 (E_RNA)
where:
Base-Base interactions energy: -384.615
where: short stacking energy: -157.291
Base-Backbone interact. energy: -0.945
local terms energy: -196.733567
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -41.891
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -52.348
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -514.162461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.162461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.162461 (E_RNA)
where:
Base-Base interactions energy: -330.277
where: short stacking energy: -153.502
Base-Backbone interact. energy: 0.661
local terms energy: -184.546101
where:
bonds (distance) C4'-P energy: -37.543
bonds (distance) P-C4' energy: -39.374
flat angles C4'-P-C4' energy: -36.077
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -43.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -455.722184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.722184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.722184 (E_RNA)
where:
Base-Base interactions energy: -280.227
where: short stacking energy: -128.771
Base-Backbone interact. energy: -1.213
local terms energy: -174.282198
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -37.948
flat angles C4'-P-C4' energy: -42.004
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -33.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -291.275988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.275988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.275988 (E_RNA)
where:
Base-Base interactions energy: -151.686
where: short stacking energy: -77.164
Base-Backbone interact. energy: 0.004
local terms energy: -139.594012
where:
bonds (distance) C4'-P energy: -40.952
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -191.703378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.703378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.703378 (E_RNA)
where:
Base-Base interactions energy: -60.506
where: short stacking energy: -37.603
Base-Backbone interact. energy: -1.150
local terms energy: -130.047468
where:
bonds (distance) C4'-P energy: -38.842
bonds (distance) P-C4' energy: -38.838
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -174.221451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.221451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.221451 (E_RNA)
where:
Base-Base interactions energy: -60.676
where: short stacking energy: -59.568
Base-Backbone interact. energy: -1.505
local terms energy: -112.039889
where:
bonds (distance) C4'-P energy: -35.340
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -169.345717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.345717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.345717 (E_RNA)
where:
Base-Base interactions energy: -71.438
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.853
local terms energy: -97.055116
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: 5.448
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: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -672.601900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.601900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.601900 (E_RNA)
where:
Base-Base interactions energy: -447.292
where: short stacking energy: -201.351
Base-Backbone interact. energy: -1.088
local terms energy: -224.221559
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -44.569
flat angles C4'-P-C4' energy: -43.358
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -67.047
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: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -631.080674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.080674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.080674 (E_RNA)
where:
Base-Base interactions energy: -423.202
where: short stacking energy: -184.040
Base-Backbone interact. energy: -0.349
local terms energy: -207.529800
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -42.390
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -48.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -601.075297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.075297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.075297 (E_RNA)
where:
Base-Base interactions energy: -406.226
where: short stacking energy: -168.364
Base-Backbone interact. energy: -2.245
local terms energy: -192.604166
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -51.305
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: 98
Temperature: 1.050000
Total energy: -598.977967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.977967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.977967 (E_RNA)
where:
Base-Base interactions energy: -401.858
where: short stacking energy: -173.817
Base-Backbone interact. energy: -0.784
local terms energy: -196.336549
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -58.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -528.521359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.521359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.521359 (E_RNA)
where:
Base-Base interactions energy: -349.391
where: short stacking energy: -145.125
Base-Backbone interact. energy: -2.003
local terms energy: -177.126934
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -38.833
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -43.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -418.919703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.919703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.919703 (E_RNA)
where:
Base-Base interactions energy: -261.798
where: short stacking energy: -131.260
Base-Backbone interact. energy: 1.051
local terms energy: -158.172715
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -38.067
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -35.613
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -296.069953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.069953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.069953 (E_RNA)
where:
Base-Base interactions energy: -161.913
where: short stacking energy: -96.064
Base-Backbone interact. energy: -0.483
local terms energy: -133.674464
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -233.383426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.383426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.383426 (E_RNA)
where:
Base-Base interactions energy: -99.061
where: short stacking energy: -72.226
Base-Backbone interact. energy: -2.350
local terms energy: -131.971812
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -43.025
flat angles C4'-P-C4' energy: -41.221
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -199.326627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.326627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.326627 (E_RNA)
where:
Base-Base interactions energy: -70.995
where: short stacking energy: -57.267
Base-Backbone interact. energy: -1.647
local terms energy: -126.684327
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -14.329
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -169.986927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.986927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.986927 (E_RNA)
where:
Base-Base interactions energy: -44.384
where: short stacking energy: -43.855
Base-Backbone interact. energy: 1.410
local terms energy: -127.012980
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -681.971976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.971976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.971976 (E_RNA)
where:
Base-Base interactions energy: -466.190
where: short stacking energy: -209.793
Base-Backbone interact. energy: -0.176
local terms energy: -215.605968
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -41.552
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -66.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -647.003382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.003382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.003382 (E_RNA)
where:
Base-Base interactions energy: -427.497
where: short stacking energy: -194.423
Base-Backbone interact. energy: 0.186
local terms energy: -219.692809
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -44.584
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -58.062
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: 99
Temperature: 1.000000
Total energy: -591.048579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.048579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.048579 (E_RNA)
where:
Base-Base interactions energy: -402.234
where: short stacking energy: -166.944
Base-Backbone interact. energy: -0.728
local terms energy: -188.086745
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -38.746
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -48.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -566.384094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.384094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.384094 (E_RNA)
where:
Base-Base interactions energy: -366.353
where: short stacking energy: -161.832
Base-Backbone interact. energy: -2.353
local terms energy: -197.678131
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -43.869
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: -51.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -576.573365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.573365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.573365 (E_RNA)
where:
Base-Base interactions energy: -394.189
where: short stacking energy: -164.745
Base-Backbone interact. energy: 0.725
local terms energy: -183.109244
where:
bonds (distance) C4'-P energy: -38.154
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -50.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -456.882762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.882762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.882762 (E_RNA)
where:
Base-Base interactions energy: -276.732
where: short stacking energy: -140.602
Base-Backbone interact. energy: -0.442
local terms energy: -179.708606
where:
bonds (distance) C4'-P energy: -35.606
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -41.341
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -313.841419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.841419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.841419 (E_RNA)
where:
Base-Base interactions energy: -162.995
where: short stacking energy: -101.924
Base-Backbone interact. energy: -0.418
local terms energy: -150.428036
where:
bonds (distance) C4'-P energy: -38.912
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -245.540952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.540952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.540952 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -67.714
Base-Backbone interact. energy: -0.412
local terms energy: -126.219308
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: -7.837
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: 99
Temperature: 1.300000
Total energy: -187.864163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.864163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.864163 (E_RNA)
where:
Base-Base interactions energy: -80.036
where: short stacking energy: -49.731
Base-Backbone interact. energy: 0.484
local terms energy: -108.312238
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -165.929172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.929172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.929172 (E_RNA)
where:
Base-Base interactions energy: -71.347
where: short stacking energy: -49.535
Base-Backbone interact. energy: -1.255
local terms energy: -93.326290
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -694.007062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.007062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.007062 (E_RNA)
where:
Base-Base interactions energy: -466.189
where: short stacking energy: -219.170
Base-Backbone interact. energy: -0.681
local terms energy: -227.137533
where:
bonds (distance) C4'-P energy: -41.446
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -48.863
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -65.730
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: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -668.187167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.187167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.187167 (E_RNA)
where:
Base-Base interactions energy: -442.923
where: short stacking energy: -202.280
Base-Backbone interact. energy: -1.155
local terms energy: -224.109717
where:
bonds (distance) C4'-P energy: -46.575
bonds (distance) P-C4' energy: -44.496
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -61.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -604.370435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.370435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.370435 (E_RNA)
where:
Base-Base interactions energy: -400.743
where: short stacking energy: -168.729
Base-Backbone interact. energy: 0.370
local terms energy: -203.997121
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -59.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -592.854446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.854446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.854446 (E_RNA)
where:
Base-Base interactions energy: -401.549
where: short stacking energy: -175.346
Base-Backbone interact. energy: -0.644
local terms energy: -190.661534
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -44.844
flat angles P-C4'-P energy: -28.253
tors. eta vs tors. theta energy: -52.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -599.685794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.685794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.685794 (E_RNA)
where:
Base-Base interactions energy: -399.082
where: short stacking energy: -181.929
Base-Backbone interact. energy: -0.391
local terms energy: -200.212488
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -46.218
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: -59.298
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: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -471.728509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.728509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.728509 (E_RNA)
where:
Base-Base interactions energy: -286.840
where: short stacking energy: -143.289
Base-Backbone interact. energy: -0.120
local terms energy: -184.768341
where:
bonds (distance) C4'-P energy: -32.790
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -45.213
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -47.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -305.230055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.230055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.230055 (E_RNA)
where:
Base-Base interactions energy: -157.442
where: short stacking energy: -87.885
Base-Backbone interact. energy: -0.503
local terms energy: -147.284393
where:
bonds (distance) C4'-P energy: -40.419
bonds (distance) P-C4' energy: -38.279
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -307.364994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.364994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.364994 (E_RNA)
where:
Base-Base interactions energy: -171.127
where: short stacking energy: -95.566
Base-Backbone interact. energy: -1.080
local terms energy: -135.157695
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -35.676
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -21.800
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: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -187.527769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.527769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.527769 (E_RNA)
where:
Base-Base interactions energy: -81.713
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.047
local terms energy: -105.767394
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -39.434
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -12.965
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: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -167.341536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.341536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.341536 (E_RNA)
where:
Base-Base interactions energy: -45.499
where: short stacking energy: -41.666
Base-Backbone interact. energy: 2.657
local terms energy: -124.499239
where:
bonds (distance) C4'-P energy: -32.249
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -30.022
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -669.556727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.556727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.556727 (E_RNA)
where:
Base-Base interactions energy: -440.553
where: short stacking energy: -202.153
Base-Backbone interact. energy: -0.426
local terms energy: -228.578011
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -67.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -623.986840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.986840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.986840 (E_RNA)
where:
Base-Base interactions energy: -412.375
where: short stacking energy: -180.313
Base-Backbone interact. energy: -0.394
local terms energy: -211.218129
where:
bonds (distance) C4'-P energy: -36.841
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -50.167
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -58.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -630.807655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.807655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.807655 (E_RNA)
where:
Base-Base interactions energy: -435.449
where: short stacking energy: -192.508
Base-Backbone interact. energy: 0.738
local terms energy: -196.096877
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -54.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -595.651141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.651141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.651141 (E_RNA)
where:
Base-Base interactions energy: -399.825
where: short stacking energy: -180.350
Base-Backbone interact. energy: -1.763
local terms energy: -194.062897
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -31.813
flat angles C4'-P-C4' energy: -43.597
flat angles P-C4'-P energy: -30.799
tors. eta vs tors. theta energy: -56.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -604.225731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.225731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.225731 (E_RNA)
where:
Base-Base interactions energy: -394.628
where: short stacking energy: -174.751
Base-Backbone interact. energy: -1.510
local terms energy: -208.087661
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -48.384
flat angles P-C4'-P energy: -26.942
tors. eta vs tors. theta energy: -60.940
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: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -486.363309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.363309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.363309 (E_RNA)
where:
Base-Base interactions energy: -310.465
where: short stacking energy: -151.722
Base-Backbone interact. energy: -0.359
local terms energy: -175.540129
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -36.032
flat angles C4'-P-C4' energy: -40.917
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -39.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -309.372582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.372582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.372582 (E_RNA)
where:
Base-Base interactions energy: -161.819
where: short stacking energy: -103.596
Base-Backbone interact. energy: -0.620
local terms energy: -146.933513
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -42.860
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -19.938
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -320.944622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.944622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.944622 (E_RNA)
where:
Base-Base interactions energy: -183.690
where: short stacking energy: -109.148
Base-Backbone interact. energy: -1.189
local terms energy: -136.065453
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -180.787273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.787273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.787273 (E_RNA)
where:
Base-Base interactions energy: -54.755
where: short stacking energy: -53.133
Base-Backbone interact. energy: -1.069
local terms energy: -124.963019
where:
bonds (distance) C4'-P energy: -45.815
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -180.673263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.673263 (E_RNA)
where:
Base-Base interactions energy: -57.809
where: short stacking energy: -46.864
Base-Backbone interact. energy: -1.453
local terms energy: -121.411002
where:
bonds (distance) C4'-P energy: -26.410
bonds (distance) P-C4' energy: -43.734
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: 4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -662.574534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.574534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.574534 (E_RNA)
where:
Base-Base interactions energy: -450.211
where: short stacking energy: -212.266
Base-Backbone interact. energy: -0.679
local terms energy: -211.684294
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -44.928
flat angles C4'-P-C4' energy: -44.388
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -64.254
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: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -612.203121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.203121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.203121 (E_RNA)
where:
Base-Base interactions energy: -406.995
where: short stacking energy: -162.927
Base-Backbone interact. energy: -0.585
local terms energy: -204.622253
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -57.257
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -624.724616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.724616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.724616 (E_RNA)
where:
Base-Base interactions energy: -427.037
where: short stacking energy: -174.687
Base-Backbone interact. energy: -0.216
local terms energy: -197.470976
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -42.502
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -54.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -584.463854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.463854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.463854 (E_RNA)
where:
Base-Base interactions energy: -397.645
where: short stacking energy: -177.761
Base-Backbone interact. energy: -0.274
local terms energy: -186.544581
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -43.191
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -55.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -568.428727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.428727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.428727 (E_RNA)
where:
Base-Base interactions energy: -379.749
where: short stacking energy: -172.499
Base-Backbone interact. energy: -0.974
local terms energy: -187.705675
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -44.294
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -57.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -456.005252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.005252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.005252 (E_RNA)
where:
Base-Base interactions energy: -287.936
where: short stacking energy: -134.319
Base-Backbone interact. energy: -0.568
local terms energy: -167.501763
where:
bonds (distance) C4'-P energy: -34.796
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -35.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -309.687360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.687360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.687360 (E_RNA)
where:
Base-Base interactions energy: -165.464
where: short stacking energy: -95.740
Base-Backbone interact. energy: -0.410
local terms energy: -143.813834
where:
bonds (distance) C4'-P energy: -36.329
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -38.019
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -20.233
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: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -288.524598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.524598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.524598 (E_RNA)
where:
Base-Base interactions energy: -164.059
where: short stacking energy: -75.399
Base-Backbone interact. energy: 2.407
local terms energy: -126.872043
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -21.986
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -185.739416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.739416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.739416 (E_RNA)
where:
Base-Base interactions energy: -59.737
where: short stacking energy: -52.974
Base-Backbone interact. energy: 0.690
local terms energy: -126.692515
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -182.649329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.649329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.649329 (E_RNA)
where:
Base-Base interactions energy: -63.356
where: short stacking energy: -46.233
Base-Backbone interact. energy: 1.043
local terms energy: -120.336483
where:
bonds (distance) C4'-P energy: -30.009
bonds (distance) P-C4' energy: -39.061
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -664.411868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.411868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.411868 (E_RNA)
where:
Base-Base interactions energy: -451.790
where: short stacking energy: -202.977
Base-Backbone interact. energy: -1.724
local terms energy: -210.898611
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -59.662
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: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -626.317103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.317103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.317103 (E_RNA)
where:
Base-Base interactions energy: -415.339
where: short stacking energy: -161.448
Base-Backbone interact. energy: -1.698
local terms energy: -209.279849
where:
bonds (distance) C4'-P energy: -43.211
bonds (distance) P-C4' energy: -41.784
flat angles C4'-P-C4' energy: -42.958
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -57.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -641.231083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.231083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.231083 (E_RNA)
where:
Base-Base interactions energy: -431.152
where: short stacking energy: -181.421
Base-Backbone interact. energy: -0.599
local terms energy: -209.480564
where:
bonds (distance) C4'-P energy: -34.685
bonds (distance) P-C4' energy: -36.982
flat angles C4'-P-C4' energy: -47.446
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -57.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -567.873242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.873242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.873242 (E_RNA)
where:
Base-Base interactions energy: -378.158
where: short stacking energy: -159.991
Base-Backbone interact. energy: -1.540
local terms energy: -188.175138
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -52.188
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: 103
Temperature: 1.100000
Total energy: -591.756251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.756251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.756251 (E_RNA)
where:
Base-Base interactions energy: -386.723
where: short stacking energy: -189.499
Base-Backbone interact. energy: -0.260
local terms energy: -204.773674
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -28.912
tors. eta vs tors. theta energy: -62.348
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: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -416.785477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.785477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.785477 (E_RNA)
where:
Base-Base interactions energy: -247.641
where: short stacking energy: -127.361
Base-Backbone interact. energy: -0.531
local terms energy: -168.613577
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -32.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -303.179855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.179855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.179855 (E_RNA)
where:
Base-Base interactions energy: -168.709
where: short stacking energy: -84.387
Base-Backbone interact. energy: 1.016
local terms energy: -135.486564
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -296.778034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.778034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.778034 (E_RNA)
where:
Base-Base interactions energy: -156.388
where: short stacking energy: -77.524
Base-Backbone interact. energy: -0.006
local terms energy: -140.383369
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -15.502
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: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -202.792588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.792588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.792588 (E_RNA)
where:
Base-Base interactions energy: -79.495
where: short stacking energy: -53.570
Base-Backbone interact. energy: -1.016
local terms energy: -122.281123
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -180.311553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.311553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.311553 (E_RNA)
where:
Base-Base interactions energy: -64.677
where: short stacking energy: -56.795
Base-Backbone interact. energy: -2.289
local terms energy: -113.345502
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -680.865852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.865852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.865852 (E_RNA)
where:
Base-Base interactions energy: -455.358
where: short stacking energy: -196.905
Base-Backbone interact. energy: -0.955
local terms energy: -224.553078
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -45.597
flat angles C4'-P-C4' energy: -45.022
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -65.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -620.200034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.200034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.200034 (E_RNA)
where:
Base-Base interactions energy: -426.633
where: short stacking energy: -179.358
Base-Backbone interact. energy: -1.439
local terms energy: -192.127843
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -57.004
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: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -647.623646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.623646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.623646 (E_RNA)
where:
Base-Base interactions energy: -448.427
where: short stacking energy: -177.293
Base-Backbone interact. energy: 0.208
local terms energy: -199.404662
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -51.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -581.527502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.527502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.527502 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -174.313
Base-Backbone interact. energy: -0.153
local terms energy: -192.151414
where:
bonds (distance) C4'-P energy: -40.609
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -40.590
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -47.453
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: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -597.679380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.679380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.679380 (E_RNA)
where:
Base-Base interactions energy: -386.897
where: short stacking energy: -159.602
Base-Backbone interact. energy: -0.550
local terms energy: -210.233166
where:
bonds (distance) C4'-P energy: -39.152
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -29.176
tors. eta vs tors. theta energy: -55.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -453.648505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.648505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.648505 (E_RNA)
where:
Base-Base interactions energy: -275.275
where: short stacking energy: -133.468
Base-Backbone interact. energy: 0.472
local terms energy: -178.845694
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -46.627
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -42.699
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: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -341.359674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.359674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.359674 (E_RNA)
where:
Base-Base interactions energy: -179.411
where: short stacking energy: -107.047
Base-Backbone interact. energy: -1.210
local terms energy: -160.738651
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -41.023
flat angles C4'-P-C4' energy: -28.440
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -24.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -281.936176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.936176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.936176 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -94.422
Base-Backbone interact. energy: -0.163
local terms energy: -130.976667
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -36.700
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -13.226
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: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -187.407640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.407640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.407640 (E_RNA)
where:
Base-Base interactions energy: -60.832
where: short stacking energy: -44.570
Base-Backbone interact. energy: 3.154
local terms energy: -129.730299
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: 6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -174.427832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.427832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.427832 (E_RNA)
where:
Base-Base interactions energy: -58.036
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.545
local terms energy: -115.846745
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -33.526
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: 2.487
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: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -669.470076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.470076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.470076 (E_RNA)
where:
Base-Base interactions energy: -457.527
where: short stacking energy: -199.992
Base-Backbone interact. energy: 0.239
local terms energy: -212.181964
where:
bonds (distance) C4'-P energy: -31.650
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -42.502
flat angles P-C4'-P energy: -34.072
tors. eta vs tors. theta energy: -63.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -657.356824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.356824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.356824 (E_RNA)
where:
Base-Base interactions energy: -464.367
where: short stacking energy: -190.255
Base-Backbone interact. energy: 0.928
local terms energy: -193.918419
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -53.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -612.027369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.027369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.027369 (E_RNA)
where:
Base-Base interactions energy: -401.710
where: short stacking energy: -172.479
Base-Backbone interact. energy: -0.233
local terms energy: -210.084934
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -45.725
flat angles P-C4'-P energy: -31.247
tors. eta vs tors. theta energy: -49.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -578.706973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.706973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.706973 (E_RNA)
where:
Base-Base interactions energy: -380.937
where: short stacking energy: -182.954
Base-Backbone interact. energy: -0.272
local terms energy: -197.497548
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -37.423
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -56.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -554.398105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.398105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.398105 (E_RNA)
where:
Base-Base interactions energy: -363.330
where: short stacking energy: -156.853
Base-Backbone interact. energy: -1.292
local terms energy: -189.775372
where:
bonds (distance) C4'-P energy: -37.297
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -31.203
tors. eta vs tors. theta energy: -56.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -449.027205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.027205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.027205 (E_RNA)
where:
Base-Base interactions energy: -279.559
where: short stacking energy: -125.075
Base-Backbone interact. energy: 0.475
local terms energy: -169.943337
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -40.478
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -31.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -322.775574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.775574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.775574 (E_RNA)
where:
Base-Base interactions energy: -184.308
where: short stacking energy: -98.172
Base-Backbone interact. energy: -1.316
local terms energy: -137.152042
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -285.636293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.636293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.636293 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.507
local terms energy: -146.806805
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -41.201
flat angles C4'-P-C4' energy: -36.050
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -180.048918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.048918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.048918 (E_RNA)
where:
Base-Base interactions energy: -62.596
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.410
local terms energy: -117.042625
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -0.822
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: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -190.738833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.738833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.738833 (E_RNA)
where:
Base-Base interactions energy: -86.216
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.766
local terms energy: -103.756888
where:
bonds (distance) C4'-P energy: -29.542
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -5.413
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: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -646.955001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.955001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.955001 (E_RNA)
where:
Base-Base interactions energy: -436.145
where: short stacking energy: -203.200
Base-Backbone interact. energy: -0.675
local terms energy: -210.134490
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -42.566
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -57.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -646.823524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.823524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.823524 (E_RNA)
where:
Base-Base interactions energy: -450.011
where: short stacking energy: -182.683
Base-Backbone interact. energy: 1.925
local terms energy: -198.738148
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -52.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -601.045725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.045725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.045725 (E_RNA)
where:
Base-Base interactions energy: -396.060
where: short stacking energy: -170.232
Base-Backbone interact. energy: -0.091
local terms energy: -204.894074
where:
bonds (distance) C4'-P energy: -38.922
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -40.553
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -53.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -587.851721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.851721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.851721 (E_RNA)
where:
Base-Base interactions energy: -389.188
where: short stacking energy: -164.870
Base-Backbone interact. energy: -0.380
local terms energy: -198.284092
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -39.408
flat angles C4'-P-C4' energy: -47.210
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -47.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -572.357872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.357872 (E_RNA)
where:
Base-Base interactions energy: -370.486
where: short stacking energy: -162.884
Base-Backbone interact. energy: -1.629
local terms energy: -200.242645
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -54.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -430.932096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.932096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.932096 (E_RNA)
where:
Base-Base interactions energy: -262.601
where: short stacking energy: -117.098
Base-Backbone interact. energy: -0.262
local terms energy: -168.068610
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -39.587
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -302.396201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.396201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.396201 (E_RNA)
where:
Base-Base interactions energy: -158.397
where: short stacking energy: -95.267
Base-Backbone interact. energy: -0.842
local terms energy: -143.157476
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -33.891
flat angles C4'-P-C4' energy: -40.199
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -307.393971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.393971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.393971 (E_RNA)
where:
Base-Base interactions energy: -167.752
where: short stacking energy: -84.889
Base-Backbone interact. energy: -0.666
local terms energy: -138.975317
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -197.807923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.807923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.807923 (E_RNA)
where:
Base-Base interactions energy: -73.295
where: short stacking energy: -35.123
Base-Backbone interact. energy: -0.780
local terms energy: -123.733134
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -177.141122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.141122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.141122 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -47.817
Base-Backbone interact. energy: -1.389
local terms energy: -125.756892
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -40.691
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -6.469
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: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -652.105373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.105373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.105373 (E_RNA)
where:
Base-Base interactions energy: -435.184
where: short stacking energy: -188.568
Base-Backbone interact. energy: -2.373
local terms energy: -214.548181
where:
bonds (distance) C4'-P energy: -44.665
bonds (distance) P-C4' energy: -42.933
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -27.743
tors. eta vs tors. theta energy: -58.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -615.838424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.838424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.838424 (E_RNA)
where:
Base-Base interactions energy: -421.033
where: short stacking energy: -167.357
Base-Backbone interact. energy: -0.441
local terms energy: -194.364046
where:
bonds (distance) C4'-P energy: -36.406
bonds (distance) P-C4' energy: -40.049
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: -54.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -634.342293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.342293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.342293 (E_RNA)
where:
Base-Base interactions energy: -438.265
where: short stacking energy: -171.408
Base-Backbone interact. energy: -0.323
local terms energy: -195.754591
where:
bonds (distance) C4'-P energy: -34.456
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -54.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -565.904811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.904811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.904811 (E_RNA)
where:
Base-Base interactions energy: -377.896
where: short stacking energy: -161.019
Base-Backbone interact. energy: -0.102
local terms energy: -187.906467
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -32.909
tors. eta vs tors. theta energy: -50.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -564.674815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.674815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.674815 (E_RNA)
where:
Base-Base interactions energy: -368.399
where: short stacking energy: -160.429
Base-Backbone interact. energy: -0.064
local terms energy: -196.212242
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -43.948
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -58.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -439.119475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.119475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.119475 (E_RNA)
where:
Base-Base interactions energy: -266.291
where: short stacking energy: -125.588
Base-Backbone interact. energy: -0.491
local terms energy: -172.337326
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -39.151
flat angles C4'-P-C4' energy: -44.177
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -32.883
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: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -315.732960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.732960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.732960 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -88.154
Base-Backbone interact. energy: 4.270
local terms energy: -150.772316
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -40.010
flat angles C4'-P-C4' energy: -38.773
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -5.673
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: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -351.062243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.062243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.062243 (E_RNA)
where:
Base-Base interactions energy: -203.575
where: short stacking energy: -87.711
Base-Backbone interact. energy: 0.074
local terms energy: -147.561310
where:
bonds (distance) C4'-P energy: -37.055
bonds (distance) P-C4' energy: -39.500
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -198.204863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.204863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.204863 (E_RNA)
where:
Base-Base interactions energy: -79.167
where: short stacking energy: -56.957
Base-Backbone interact. energy: 0.160
local terms energy: -119.197883
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -41.409
flat angles C4'-P-C4' energy: -39.594
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: 5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -169.973771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.973771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.973771 (E_RNA)
where:
Base-Base interactions energy: -59.596
where: short stacking energy: -50.017
Base-Backbone interact. energy: -0.870
local terms energy: -109.507380
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: 0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -633.089698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.089698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.089698 (E_RNA)
where:
Base-Base interactions energy: -428.462
where: short stacking energy: -172.185
Base-Backbone interact. energy: -0.587
local terms energy: -204.040629
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -40.070
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -53.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -644.925369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.925369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.925369 (E_RNA)
where:
Base-Base interactions energy: -436.617
where: short stacking energy: -186.360
Base-Backbone interact. energy: -0.496
local terms energy: -207.812044
where:
bonds (distance) C4'-P energy: -44.647
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -44.292
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -56.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -647.565701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.565701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.565701 (E_RNA)
where:
Base-Base interactions energy: -435.376
where: short stacking energy: -173.330
Base-Backbone interact. energy: 0.282
local terms energy: -212.471674
where:
bonds (distance) C4'-P energy: -41.670
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -43.713
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -50.239
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: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -604.007511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.007511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.007511 (E_RNA)
where:
Base-Base interactions energy: -398.784
where: short stacking energy: -176.501
Base-Backbone interact. energy: -1.841
local terms energy: -203.382331
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -45.844
flat angles C4'-P-C4' energy: -44.106
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -57.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -566.196304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.196304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.196304 (E_RNA)
where:
Base-Base interactions energy: -365.195
where: short stacking energy: -168.010
Base-Backbone interact. energy: -1.514
local terms energy: -199.486830
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -39.418
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: -61.523
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: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -439.479227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.479227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.479227 (E_RNA)
where:
Base-Base interactions energy: -273.037
where: short stacking energy: -124.608
Base-Backbone interact. energy: -0.221
local terms energy: -166.221444
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -36.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -352.573620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.573620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.573620 (E_RNA)
where:
Base-Base interactions energy: -213.443
where: short stacking energy: -103.339
Base-Backbone interact. energy: 0.301
local terms energy: -139.430791
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -35.042
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -281.054603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.054603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.054603 (E_RNA)
where:
Base-Base interactions energy: -152.090
where: short stacking energy: -85.270
Base-Backbone interact. energy: -0.485
local terms energy: -128.478944
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -175.777354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.777354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.777354 (E_RNA)
where:
Base-Base interactions energy: -59.739
where: short stacking energy: -40.946
Base-Backbone interact. energy: 0.855
local terms energy: -116.893596
where:
bonds (distance) C4'-P energy: -36.615
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: 6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -172.836443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.836443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.836443 (E_RNA)
where:
Base-Base interactions energy: -44.109
where: short stacking energy: -36.188
Base-Backbone interact. energy: -0.315
local terms energy: -128.412980
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -41.305
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: 4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -638.182939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.182939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.182939 (E_RNA)
where:
Base-Base interactions energy: -427.342
where: short stacking energy: -174.654
Base-Backbone interact. energy: -1.709
local terms energy: -209.131515
where:
bonds (distance) C4'-P energy: -38.704
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -42.016
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -60.747
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: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -666.271585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.271585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.271585 (E_RNA)
where:
Base-Base interactions energy: -451.028
where: short stacking energy: -188.901
Base-Backbone interact. energy: -0.506
local terms energy: -214.737733
where:
bonds (distance) C4'-P energy: -35.725
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -47.936
flat angles P-C4'-P energy: -33.762
tors. eta vs tors. theta energy: -58.618
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: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -654.046185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.046185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.046185 (E_RNA)
where:
Base-Base interactions energy: -442.624
where: short stacking energy: -204.662
Base-Backbone interact. energy: -1.106
local terms energy: -210.315928
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -38.458
flat angles C4'-P-C4' energy: -44.168
flat angles P-C4'-P energy: -26.904
tors. eta vs tors. theta energy: -63.398
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: 109
Temperature: 1.050000
Total energy: -599.365299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.365299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.365299 (E_RNA)
where:
Base-Base interactions energy: -396.338
where: short stacking energy: -176.458
Base-Backbone interact. energy: -0.679
local terms energy: -202.348395
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -42.488
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -57.088
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: 109
Temperature: 1.100000
Total energy: -559.824081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.824081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.824081 (E_RNA)
where:
Base-Base interactions energy: -368.607
where: short stacking energy: -160.469
Base-Backbone interact. energy: -0.953
local terms energy: -190.264377
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -44.448
flat angles C4'-P-C4' energy: -42.782
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -46.553
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: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -393.062999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.062999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.062999 (E_RNA)
where:
Base-Base interactions energy: -246.215
where: short stacking energy: -111.563
Base-Backbone interact. energy: 1.682
local terms energy: -148.530403
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -313.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.283008 (E_RNA)
where:
Base-Base interactions energy: -159.030
where: short stacking energy: -73.991
Base-Backbone interact. energy: -1.266
local terms energy: -152.987622
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -40.626
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -289.915614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.915614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.915614 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -83.836
Base-Backbone interact. energy: 0.322
local terms energy: -139.392607
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -186.713184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.713184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.713184 (E_RNA)
where:
Base-Base interactions energy: -72.531
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.727
local terms energy: -113.454782
where:
bonds (distance) C4'-P energy: -36.566
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -186.670571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.670571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.670571 (E_RNA)
where:
Base-Base interactions energy: -84.644
where: short stacking energy: -54.952
Base-Backbone interact. energy: -1.426
local terms energy: -100.600550
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: 10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -685.274606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.274606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.274606 (E_RNA)
where:
Base-Base interactions energy: -473.723
where: short stacking energy: -201.499
Base-Backbone interact. energy: -0.318
local terms energy: -211.234234
where:
bonds (distance) C4'-P energy: -40.940
bonds (distance) P-C4' energy: -44.464
flat angles C4'-P-C4' energy: -40.470
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -61.172
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: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -624.212407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.212407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.212407 (E_RNA)
where:
Base-Base interactions energy: -413.584
where: short stacking energy: -167.176
Base-Backbone interact. energy: -1.221
local terms energy: -209.407260
where:
bonds (distance) C4'-P energy: -36.615
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -50.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -645.499548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.499548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.499548 (E_RNA)
where:
Base-Base interactions energy: -434.582
where: short stacking energy: -186.268
Base-Backbone interact. energy: -1.480
local terms energy: -209.437495
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: -63.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -613.590445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.590445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.590445 (E_RNA)
where:
Base-Base interactions energy: -406.390
where: short stacking energy: -183.133
Base-Backbone interact. energy: -0.868
local terms energy: -206.332614
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -60.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -546.036576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.036576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.036576 (E_RNA)
where:
Base-Base interactions energy: -356.947
where: short stacking energy: -160.727
Base-Backbone interact. energy: -0.946
local terms energy: -188.143564
where:
bonds (distance) C4'-P energy: -40.262
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -45.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -419.937559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.937559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.937559 (E_RNA)
where:
Base-Base interactions energy: -258.240
where: short stacking energy: -139.114
Base-Backbone interact. energy: -0.583
local terms energy: -161.114550
where:
bonds (distance) C4'-P energy: -39.105
bonds (distance) P-C4' energy: -33.831
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -34.985
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: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -299.161666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.161666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.161666 (E_RNA)
where:
Base-Base interactions energy: -147.382
where: short stacking energy: -85.900
Base-Backbone interact. energy: -0.585
local terms energy: -151.194474
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -308.104738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.104738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.104738 (E_RNA)
where:
Base-Base interactions energy: -171.677
where: short stacking energy: -81.014
Base-Backbone interact. energy: -1.234
local terms energy: -135.194097
where:
bonds (distance) C4'-P energy: -31.957
bonds (distance) P-C4' energy: -40.134
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -186.483344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.483344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.483344 (E_RNA)
where:
Base-Base interactions energy: -55.417
where: short stacking energy: -37.177
Base-Backbone interact. energy: 0.950
local terms energy: -132.016460
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -38.594
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: 3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -173.171453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.171453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.171453 (E_RNA)
where:
Base-Base interactions energy: -59.721
where: short stacking energy: -31.056
Base-Backbone interact. energy: -1.011
local terms energy: -112.438655
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -37.404
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -680.551092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.551092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.551092 (E_RNA)
where:
Base-Base interactions energy: -458.184
where: short stacking energy: -197.068
Base-Backbone interact. energy: 0.084
local terms energy: -222.450749
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -50.333
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: -61.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -626.724338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.724338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.724338 (E_RNA)
where:
Base-Base interactions energy: -416.014
where: short stacking energy: -170.438
Base-Backbone interact. energy: -1.623
local terms energy: -209.087348
where:
bonds (distance) C4'-P energy: -42.024
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -44.499
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -53.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -647.655939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.655939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.655939 (E_RNA)
where:
Base-Base interactions energy: -427.503
where: short stacking energy: -193.466
Base-Backbone interact. energy: -0.981
local terms energy: -219.171179
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -49.335
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -61.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -592.379830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.379830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.379830 (E_RNA)
where:
Base-Base interactions energy: -401.920
where: short stacking energy: -180.343
Base-Backbone interact. energy: -0.493
local terms energy: -189.966755
where:
bonds (distance) C4'-P energy: -32.498
bonds (distance) P-C4' energy: -38.293
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -52.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -547.710924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.710924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.710924 (E_RNA)
where:
Base-Base interactions energy: -361.401
where: short stacking energy: -160.355
Base-Backbone interact. energy: -1.435
local terms energy: -184.875163
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -42.015
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: -45.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -388.115183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.115183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.115183 (E_RNA)
where:
Base-Base interactions energy: -217.341
where: short stacking energy: -116.745
Base-Backbone interact. energy: -0.145
local terms energy: -170.629164
where:
bonds (distance) C4'-P energy: -37.368
bonds (distance) P-C4' energy: -44.397
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -27.743
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: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -328.768827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.768827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.768827 (E_RNA)
where:
Base-Base interactions energy: -188.088
where: short stacking energy: -94.629
Base-Backbone interact. energy: -0.708
local terms energy: -139.972680
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -34.315
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -279.385619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.385619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.385619 (E_RNA)
where:
Base-Base interactions energy: -148.585
where: short stacking energy: -84.262
Base-Backbone interact. energy: 0.009
local terms energy: -130.810323
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -6.672
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: 111
Temperature: 1.300000
Total energy: -167.909522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.909522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.909522 (E_RNA)
where:
Base-Base interactions energy: -48.567
where: short stacking energy: -43.427
Base-Backbone interact. energy: -0.534
local terms energy: -118.807601
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: 4.217
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -185.445529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.445529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.445529 (E_RNA)
where:
Base-Base interactions energy: -72.564
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.485
local terms energy: -112.396926
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -13.858
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: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -682.280727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.280727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.280727 (E_RNA)
where:
Base-Base interactions energy: -477.819
where: short stacking energy: -195.361
Base-Backbone interact. energy: -0.433
local terms energy: -204.027979
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -41.025
flat angles C4'-P-C4' energy: -37.046
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -61.014
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: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -613.685272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.685272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.685272 (E_RNA)
where:
Base-Base interactions energy: -418.256
where: short stacking energy: -164.315
Base-Backbone interact. energy: -0.103
local terms energy: -195.326295
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -57.256
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: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -655.308278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.308278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.308278 (E_RNA)
where:
Base-Base interactions energy: -429.442
where: short stacking energy: -197.667
Base-Backbone interact. energy: -1.027
local terms energy: -224.838838
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -41.437
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -66.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -607.538406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.538406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.538406 (E_RNA)
where:
Base-Base interactions energy: -407.966
where: short stacking energy: -189.191
Base-Backbone interact. energy: -0.472
local terms energy: -199.099848
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -36.098
flat angles C4'-P-C4' energy: -38.903
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -61.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -533.424895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.424895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.424895 (E_RNA)
where:
Base-Base interactions energy: -353.583
where: short stacking energy: -157.306
Base-Backbone interact. energy: 1.013
local terms energy: -180.854145
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -39.023
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -36.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -382.377895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.377895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.377895 (E_RNA)
where:
Base-Base interactions energy: -222.105
where: short stacking energy: -111.182
Base-Backbone interact. energy: -0.266
local terms energy: -160.007443
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -294.568771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.568771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.568771 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -104.004
Base-Backbone interact. energy: -2.161
local terms energy: -131.127604
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -36.767
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -288.713097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.713097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.713097 (E_RNA)
where:
Base-Base interactions energy: -164.588
where: short stacking energy: -93.485
Base-Backbone interact. energy: -0.082
local terms energy: -124.043667
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -186.590187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.590187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.590187 (E_RNA)
where:
Base-Base interactions energy: -70.033
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.522
local terms energy: -116.035373
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -21.120
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: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -170.582354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.582354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.582354 (E_RNA)
where:
Base-Base interactions energy: -57.999
where: short stacking energy: -57.999
Base-Backbone interact. energy: 0.595
local terms energy: -113.178101
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -38.858
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -678.274145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.274145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.274145 (E_RNA)
where:
Base-Base interactions energy: -466.389
where: short stacking energy: -186.812
Base-Backbone interact. energy: -0.895
local terms energy: -210.990415
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -30.327
tors. eta vs tors. theta energy: -58.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -660.897380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.897380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.897380 (E_RNA)
where:
Base-Base interactions energy: -434.955
where: short stacking energy: -204.163
Base-Backbone interact. energy: -0.258
local terms energy: -225.683886
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -49.790
flat angles P-C4'-P energy: -32.550
tors. eta vs tors. theta energy: -67.534
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -598.743455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.743455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.743455 (E_RNA)
where:
Base-Base interactions energy: -413.574
where: short stacking energy: -176.703
Base-Backbone interact. energy: -0.334
local terms energy: -184.835476
where:
bonds (distance) C4'-P energy: -35.522
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -51.508
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: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -609.207171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.207171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.207171 (E_RNA)
where:
Base-Base interactions energy: -408.847
where: short stacking energy: -185.587
Base-Backbone interact. energy: -1.691
local terms energy: -198.668976
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -59.296
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: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -538.744251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.744251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.744251 (E_RNA)
where:
Base-Base interactions energy: -359.872
where: short stacking energy: -168.576
Base-Backbone interact. energy: -1.728
local terms energy: -177.143767
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -41.698
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -46.355
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: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -473.469569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.469569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.469569 (E_RNA)
where:
Base-Base interactions energy: -304.995
where: short stacking energy: -135.959
Base-Backbone interact. energy: 4.035
local terms energy: -172.509282
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -40.890
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: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -312.493047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.493047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.493047 (E_RNA)
where:
Base-Base interactions energy: -175.617
where: short stacking energy: -76.225
Base-Backbone interact. energy: 1.271
local terms energy: -138.147118
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -36.776
flat angles C4'-P-C4' energy: -36.327
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -310.622337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.622337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.622337 (E_RNA)
where:
Base-Base interactions energy: -180.460
where: short stacking energy: -93.562
Base-Backbone interact. energy: 0.072
local terms energy: -130.234247
where:
bonds (distance) C4'-P energy: -29.040
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -188.487487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.487487 (E_RNA)
where:
Base-Base interactions energy: -70.611
where: short stacking energy: -58.373
Base-Backbone interact. energy: -0.150
local terms energy: -117.726546
where:
bonds (distance) C4'-P energy: -39.097
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -160.857662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.857662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.857662 (E_RNA)
where:
Base-Base interactions energy: -50.819
where: short stacking energy: -41.279
Base-Backbone interact. energy: -0.915
local terms energy: -109.122793
where:
bonds (distance) C4'-P energy: -39.331
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -676.407648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.407648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.407648 (E_RNA)
where:
Base-Base interactions energy: -456.277
where: short stacking energy: -198.223
Base-Backbone interact. energy: -0.318
local terms energy: -219.811848
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -45.826
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -64.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -650.873310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.873310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.873310 (E_RNA)
where:
Base-Base interactions energy: -443.272
where: short stacking energy: -179.618
Base-Backbone interact. energy: -1.799
local terms energy: -205.802583
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -45.593
flat angles C4'-P-C4' energy: -40.795
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -57.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -619.069142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.069142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.069142 (E_RNA)
where:
Base-Base interactions energy: -408.176
where: short stacking energy: -184.506
Base-Backbone interact. energy: -0.173
local terms energy: -210.719773
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -64.141
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: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -589.649200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.649200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.649200 (E_RNA)
where:
Base-Base interactions energy: -397.934
where: short stacking energy: -161.270
Base-Backbone interact. energy: -0.147
local terms energy: -191.569077
where:
bonds (distance) C4'-P energy: -30.030
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -54.902
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -568.436350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.436350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.436350 (E_RNA)
where:
Base-Base interactions energy: -383.147
where: short stacking energy: -180.432
Base-Backbone interact. energy: -0.622
local terms energy: -184.666847
where:
bonds (distance) C4'-P energy: -35.046
bonds (distance) P-C4' energy: -33.241
flat angles C4'-P-C4' energy: -40.316
flat angles P-C4'-P energy: -28.433
tors. eta vs tors. theta energy: -47.631
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: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -473.630514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.630514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.630514 (E_RNA)
where:
Base-Base interactions energy: -290.834
where: short stacking energy: -134.700
Base-Backbone interact. energy: -1.174
local terms energy: -181.622277
where:
bonds (distance) C4'-P energy: -39.762
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -43.992
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: 114
Temperature: 1.200000
Total energy: -304.689236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.689236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.689236 (E_RNA)
where:
Base-Base interactions energy: -163.835
where: short stacking energy: -96.990
Base-Backbone interact. energy: 5.632
local terms energy: -146.486690
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -287.195969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.195969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.195969 (E_RNA)
where:
Base-Base interactions energy: -176.075
where: short stacking energy: -94.328
Base-Backbone interact. energy: -0.973
local terms energy: -110.148190
where:
bonds (distance) C4'-P energy: -33.045
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -188.953979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.953979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.953979 (E_RNA)
where:
Base-Base interactions energy: -77.183
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.615
local terms energy: -111.155072
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -1.500
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: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -202.691033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.691033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.691033 (E_RNA)
where:
Base-Base interactions energy: -84.903
where: short stacking energy: -48.348
Base-Backbone interact. energy: -1.155
local terms energy: -116.633355
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -16.761
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: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -681.203791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.203791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.203791 (E_RNA)
where:
Base-Base interactions energy: -465.571
where: short stacking energy: -203.370
Base-Backbone interact. energy: -0.577
local terms energy: -215.055855
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -40.999
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -62.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -650.632469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.632469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.632469 (E_RNA)
where:
Base-Base interactions energy: -435.519
where: short stacking energy: -189.313
Base-Backbone interact. energy: 0.240
local terms energy: -215.353874
where:
bonds (distance) C4'-P energy: -38.614
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -43.189
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -61.233
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: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -609.502018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.502018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.502018 (E_RNA)
where:
Base-Base interactions energy: -411.560
where: short stacking energy: -172.037
Base-Backbone interact. energy: 0.539
local terms energy: -198.480614
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -40.706
flat angles P-C4'-P energy: -29.382
tors. eta vs tors. theta energy: -64.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -598.126426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.126426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.126426 (E_RNA)
where:
Base-Base interactions energy: -402.762
where: short stacking energy: -166.398
Base-Backbone interact. energy: -0.616
local terms energy: -194.749080
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -35.477
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -55.182
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: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -553.760110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.760110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.760110 (E_RNA)
where:
Base-Base interactions energy: -367.670
where: short stacking energy: -171.184
Base-Backbone interact. energy: -2.462
local terms energy: -183.628410
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -42.054
flat angles C4'-P-C4' energy: -40.424
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -45.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -463.263760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.263760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.263760 (E_RNA)
where:
Base-Base interactions energy: -287.799
where: short stacking energy: -130.323
Base-Backbone interact. energy: 0.481
local terms energy: -175.945402
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -38.560
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -34.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -303.515289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.515289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.515289 (E_RNA)
where:
Base-Base interactions energy: -159.384
where: short stacking energy: -82.101
Base-Backbone interact. energy: -0.503
local terms energy: -143.628580
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -13.915
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: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -294.650968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.650968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.650968 (E_RNA)
where:
Base-Base interactions energy: -158.036
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.437
local terms energy: -136.178462
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -40.023
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -170.193314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.193314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.193314 (E_RNA)
where:
Base-Base interactions energy: -61.774
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.769
local terms energy: -107.650477
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: 6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -173.486745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.486745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.486745 (E_RNA)
where:
Base-Base interactions energy: -63.919
where: short stacking energy: -43.593
Base-Backbone interact. energy: -0.573
local terms energy: -108.994326
where:
bonds (distance) C4'-P energy: -33.999
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -685.363101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.363101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.363101 (E_RNA)
where:
Base-Base interactions energy: -451.438
where: short stacking energy: -208.224
Base-Backbone interact. energy: -1.039
local terms energy: -232.885978
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -71.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -661.858945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.858945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.858945 (E_RNA)
where:
Base-Base interactions energy: -452.375
where: short stacking energy: -199.256
Base-Backbone interact. energy: -0.261
local terms energy: -209.222501
where:
bonds (distance) C4'-P energy: -38.880
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -42.062
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -62.574
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -612.030345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.030345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.030345 (E_RNA)
where:
Base-Base interactions energy: -409.653
where: short stacking energy: -155.168
Base-Backbone interact. energy: -1.131
local terms energy: -201.246413
where:
bonds (distance) C4'-P energy: -43.285
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -621.787433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.787433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.787433 (E_RNA)
where:
Base-Base interactions energy: -415.281
where: short stacking energy: -181.077
Base-Backbone interact. energy: -0.919
local terms energy: -205.587673
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -40.767
flat angles C4'-P-C4' energy: -42.437
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -59.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -545.245262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.245262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.245262 (E_RNA)
where:
Base-Base interactions energy: -368.855
where: short stacking energy: -174.071
Base-Backbone interact. energy: -0.862
local terms energy: -175.528668
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -43.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -464.949542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.949542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.949542 (E_RNA)
where:
Base-Base interactions energy: -298.262
where: short stacking energy: -127.519
Base-Backbone interact. energy: 0.134
local terms energy: -166.821789
where:
bonds (distance) C4'-P energy: -34.363
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -37.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -306.710544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.710544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.710544 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -81.470
Base-Backbone interact. energy: 0.102
local terms energy: -146.293452
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -299.120913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.120913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.120913 (E_RNA)
where:
Base-Base interactions energy: -159.408
where: short stacking energy: -86.953
Base-Backbone interact. energy: 0.731
local terms energy: -140.443557
where:
bonds (distance) C4'-P energy: -32.866
bonds (distance) P-C4' energy: -38.322
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -187.476377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.476377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.476377 (E_RNA)
where:
Base-Base interactions energy: -65.741
where: short stacking energy: -45.382
Base-Backbone interact. energy: -1.151
local terms energy: -120.584209
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -36.190
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -166.450007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.450007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.450007 (E_RNA)
where:
Base-Base interactions energy: -49.366
where: short stacking energy: -47.263
Base-Backbone interact. energy: 0.221
local terms energy: -117.305088
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: 11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -663.172440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.172440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.172440 (E_RNA)
where:
Base-Base interactions energy: -441.150
where: short stacking energy: -198.156
Base-Backbone interact. energy: -2.316
local terms energy: -219.705717
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -61.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -666.804205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.804205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.804205 (E_RNA)
where:
Base-Base interactions energy: -455.374
where: short stacking energy: -205.328
Base-Backbone interact. energy: 0.609
local terms energy: -212.039419
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -40.337
flat angles P-C4'-P energy: -29.639
tors. eta vs tors. theta energy: -60.013
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: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -616.007276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.007276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.007276 (E_RNA)
where:
Base-Base interactions energy: -412.514
where: short stacking energy: -168.150
Base-Backbone interact. energy: -2.170
local terms energy: -201.323610
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -39.359
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -53.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -614.316358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.316358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.316358 (E_RNA)
where:
Base-Base interactions energy: -407.392
where: short stacking energy: -166.517
Base-Backbone interact. energy: -0.814
local terms energy: -206.109749
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -31.493
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -562.900459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.900459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.900459 (E_RNA)
where:
Base-Base interactions energy: -362.229
where: short stacking energy: -177.335
Base-Backbone interact. energy: -1.029
local terms energy: -199.643298
where:
bonds (distance) C4'-P energy: -36.451
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -51.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -459.931163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.931163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.931163 (E_RNA)
where:
Base-Base interactions energy: -298.022
where: short stacking energy: -132.566
Base-Backbone interact. energy: -0.186
local terms energy: -161.722885
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -31.986
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -330.373821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.373821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.373821 (E_RNA)
where:
Base-Base interactions energy: -184.564
where: short stacking energy: -88.302
Base-Backbone interact. energy: 0.321
local terms energy: -146.130587
where:
bonds (distance) C4'-P energy: -37.810
bonds (distance) P-C4' energy: -37.963
flat angles C4'-P-C4' energy: -36.963
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -321.245442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.245442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.245442 (E_RNA)
where:
Base-Base interactions energy: -177.586
where: short stacking energy: -87.632
Base-Backbone interact. energy: -0.576
local terms energy: -143.083619
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -181.952852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.952852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.952852 (E_RNA)
where:
Base-Base interactions energy: -68.798
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.621
local terms energy: -112.534382
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: 2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -171.824318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.824318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824318 (E_RNA)
where:
Base-Base interactions energy: -48.013
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.920
local terms energy: -122.891520
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -40.242
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -17.814
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: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -670.107311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.107311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.107311 (E_RNA)
where:
Base-Base interactions energy: -459.566
where: short stacking energy: -195.264
Base-Backbone interact. energy: 1.205
local terms energy: -211.746640
where:
bonds (distance) C4'-P energy: -41.570
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -43.720
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -60.453
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: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -665.955710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.955710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.955710 (E_RNA)
where:
Base-Base interactions energy: -448.938
where: short stacking energy: -212.908
Base-Backbone interact. energy: -1.651
local terms energy: -215.366592
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -35.860
flat angles C4'-P-C4' energy: -44.066
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -65.687
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: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -626.923206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.923206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.923206 (E_RNA)
where:
Base-Base interactions energy: -419.182
where: short stacking energy: -171.626
Base-Backbone interact. energy: -1.409
local terms energy: -206.331546
where:
bonds (distance) C4'-P energy: -37.129
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -42.773
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -63.731
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -577.831846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.831846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.831846 (E_RNA)
where:
Base-Base interactions energy: -388.758
where: short stacking energy: -167.018
Base-Backbone interact. energy: -0.610
local terms energy: -188.463993
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -42.292
flat angles P-C4'-P energy: -29.668
tors. eta vs tors. theta energy: -50.769
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: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -572.714888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.714888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.714888 (E_RNA)
where:
Base-Base interactions energy: -382.937
where: short stacking energy: -177.153
Base-Backbone interact. energy: -0.107
local terms energy: -189.670947
where:
bonds (distance) C4'-P energy: -35.058
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -51.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -473.894149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.894149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.894149 (E_RNA)
where:
Base-Base interactions energy: -304.164
where: short stacking energy: -128.654
Base-Backbone interact. energy: -1.662
local terms energy: -168.067815
where:
bonds (distance) C4'-P energy: -43.262
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -34.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -335.665547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.665547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.665547 (E_RNA)
where:
Base-Base interactions energy: -200.535
where: short stacking energy: -109.545
Base-Backbone interact. energy: -0.679
local terms energy: -134.452157
where:
bonds (distance) C4'-P energy: -36.476
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -32.244
flat angles P-C4'-P energy: -21.320
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -326.056514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.056514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.056514 (E_RNA)
where:
Base-Base interactions energy: -189.409
where: short stacking energy: -83.307
Base-Backbone interact. energy: -0.217
local terms energy: -136.430282
where:
bonds (distance) C4'-P energy: -33.206
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -12.963
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: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -177.104090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.104090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.104090 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -48.919
Base-Backbone interact. energy: -1.007
local terms energy: -126.512480
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -160.253364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.253364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.253364 (E_RNA)
where:
Base-Base interactions energy: -55.223
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.169
local terms energy: -104.860492
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: 5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -666.553371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.553371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.553371 (E_RNA)
where:
Base-Base interactions energy: -450.424
where: short stacking energy: -206.445
Base-Backbone interact. energy: 0.089
local terms energy: -216.218675
where:
bonds (distance) C4'-P energy: -43.933
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -47.078
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -57.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -666.273437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.273437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.273437 (E_RNA)
where:
Base-Base interactions energy: -445.258
where: short stacking energy: -205.794
Base-Backbone interact. energy: 0.772
local terms energy: -221.787971
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -40.766
flat angles C4'-P-C4' energy: -44.355
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -65.211
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: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -624.586554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.586554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.586554 (E_RNA)
where:
Base-Base interactions energy: -419.300
where: short stacking energy: -182.323
Base-Backbone interact. energy: -0.983
local terms energy: -204.304094
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -61.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -588.581662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.581662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.581662 (E_RNA)
where:
Base-Base interactions energy: -384.731
where: short stacking energy: -163.986
Base-Backbone interact. energy: -0.425
local terms energy: -203.425597
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -43.381
flat angles P-C4'-P energy: -28.186
tors. eta vs tors. theta energy: -51.389
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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -567.797556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.797556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.797556 (E_RNA)
where:
Base-Base interactions energy: -384.201
where: short stacking energy: -170.427
Base-Backbone interact. energy: 0.625
local terms energy: -184.222283
where:
bonds (distance) C4'-P energy: -35.690
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -35.276
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -46.382
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -511.338325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.338325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.338325 (E_RNA)
where:
Base-Base interactions energy: -328.146
where: short stacking energy: -149.315
Base-Backbone interact. energy: 2.623
local terms energy: -185.815071
where:
bonds (distance) C4'-P energy: -34.947
bonds (distance) P-C4' energy: -41.635
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -40.241
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: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -367.910505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.910505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.910505 (E_RNA)
where:
Base-Base interactions energy: -223.260
where: short stacking energy: -126.849
Base-Backbone interact. energy: 0.546
local terms energy: -145.196786
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -41.853
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -26.921
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: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -279.483416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.483416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.483416 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.363
local terms energy: -150.918889
where:
bonds (distance) C4'-P energy: -40.153
bonds (distance) P-C4' energy: -42.874
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -189.831143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.831143 (E_RNA)
where:
Base-Base interactions energy: -82.905
where: short stacking energy: -68.892
Base-Backbone interact. energy: 1.692
local terms energy: -108.618481
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -196.639494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.639494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.639494 (E_RNA)
where:
Base-Base interactions energy: -79.785
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.549
local terms energy: -116.305905
where:
bonds (distance) C4'-P energy: -31.967
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -678.031149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.031149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.031149 (E_RNA)
where:
Base-Base interactions energy: -455.535
where: short stacking energy: -212.551
Base-Backbone interact. energy: -0.502
local terms energy: -221.994715
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: -66.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -660.446674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.446674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.446674 (E_RNA)
where:
Base-Base interactions energy: -443.336
where: short stacking energy: -191.359
Base-Backbone interact. energy: -0.906
local terms energy: -216.204491
where:
bonds (distance) C4'-P energy: -41.449
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -40.055
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: -56.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -593.888620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.888620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.888620 (E_RNA)
where:
Base-Base interactions energy: -387.678
where: short stacking energy: -161.824
Base-Backbone interact. energy: -0.358
local terms energy: -205.852561
where:
bonds (distance) C4'-P energy: -37.692
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -43.318
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -51.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -607.153884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.153884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.153884 (E_RNA)
where:
Base-Base interactions energy: -402.794
where: short stacking energy: -179.555
Base-Backbone interact. energy: -0.372
local terms energy: -203.987796
where:
bonds (distance) C4'-P energy: -36.044
bonds (distance) P-C4' energy: -39.398
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -63.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -564.825975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.825975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.825975 (E_RNA)
where:
Base-Base interactions energy: -367.329
where: short stacking energy: -173.811
Base-Backbone interact. energy: -0.411
local terms energy: -197.085673
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -43.145
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -54.142
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: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -486.403811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.403811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.403811 (E_RNA)
where:
Base-Base interactions energy: -322.529
where: short stacking energy: -136.680
Base-Backbone interact. energy: 1.753
local terms energy: -165.628370
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -35.995
flat angles C4'-P-C4' energy: -42.416
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -30.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -326.025094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.025094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.025094 (E_RNA)
where:
Base-Base interactions energy: -183.524
where: short stacking energy: -94.674
Base-Backbone interact. energy: -0.162
local terms energy: -142.340014
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -41.654
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -302.505664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.505664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.505664 (E_RNA)
where:
Base-Base interactions energy: -152.416
where: short stacking energy: -81.942
Base-Backbone interact. energy: -0.234
local terms energy: -149.855995
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -42.857
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -189.848550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.848550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.848550 (E_RNA)
where:
Base-Base interactions energy: -67.332
where: short stacking energy: -43.521
Base-Backbone interact. energy: 2.176
local terms energy: -124.692891
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -35.858
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: 2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -180.965228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.965228 (E_RNA)
where:
Base-Base interactions energy: -54.358
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.140
local terms energy: -126.466726
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -689.029189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.029189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.029189 (E_RNA)
where:
Base-Base interactions energy: -462.282
where: short stacking energy: -211.998
Base-Backbone interact. energy: -0.569
local terms energy: -226.178121
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -46.183
flat angles P-C4'-P energy: -32.204
tors. eta vs tors. theta energy: -72.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -661.941076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.941076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.941076 (E_RNA)
where:
Base-Base interactions energy: -436.369
where: short stacking energy: -184.976
Base-Backbone interact. energy: -0.675
local terms energy: -224.896833
where:
bonds (distance) C4'-P energy: -43.595
bonds (distance) P-C4' energy: -39.510
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -58.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -601.444168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.444168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.444168 (E_RNA)
where:
Base-Base interactions energy: -404.335
where: short stacking energy: -153.907
Base-Backbone interact. energy: -0.788
local terms energy: -196.321748
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -39.719
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -52.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -605.570590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.570590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.570590 (E_RNA)
where:
Base-Base interactions energy: -414.204
where: short stacking energy: -171.226
Base-Backbone interact. energy: -1.054
local terms energy: -190.312134
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -37.909
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: -56.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -560.694840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.694840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.694840 (E_RNA)
where:
Base-Base interactions energy: -363.474
where: short stacking energy: -160.273
Base-Backbone interact. energy: -0.758
local terms energy: -196.463243
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -41.787
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -43.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -503.314346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.314346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.314346 (E_RNA)
where:
Base-Base interactions energy: -319.422
where: short stacking energy: -132.049
Base-Backbone interact. energy: 2.024
local terms energy: -185.916666
where:
bonds (distance) C4'-P energy: -39.785
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -38.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -346.917912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.917912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.917912 (E_RNA)
where:
Base-Base interactions energy: -198.875
where: short stacking energy: -119.086
Base-Backbone interact. energy: -1.577
local terms energy: -146.466382
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -300.920072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.920072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.920072 (E_RNA)
where:
Base-Base interactions energy: -176.713
where: short stacking energy: -103.342
Base-Backbone interact. energy: 2.246
local terms energy: -126.452968
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -168.957104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.957104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.957104 (E_RNA)
where:
Base-Base interactions energy: -57.474
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.592
local terms energy: -110.891381
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: 10.932
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: 121
Temperature: 1.350000
Total energy: -188.179033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.179033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.179033 (E_RNA)
where:
Base-Base interactions energy: -56.515
where: short stacking energy: -54.604
Base-Backbone interact. energy: 0.123
local terms energy: -131.787415
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -36.956
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -679.743712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.743712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.743712 (E_RNA)
where:
Base-Base interactions energy: -455.995
where: short stacking energy: -203.633
Base-Backbone interact. energy: -0.450
local terms energy: -223.298337
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -38.989
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -70.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -650.517555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.517555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.517555 (E_RNA)
where:
Base-Base interactions energy: -436.982
where: short stacking energy: -195.090
Base-Backbone interact. energy: 1.394
local terms energy: -214.929224
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -41.764
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -62.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -604.230105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.230105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.230105 (E_RNA)
where:
Base-Base interactions energy: -399.673
where: short stacking energy: -175.155
Base-Backbone interact. energy: 0.370
local terms energy: -204.927276
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -39.139
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -53.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -592.508158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.508158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.508158 (E_RNA)
where:
Base-Base interactions energy: -397.405
where: short stacking energy: -164.029
Base-Backbone interact. energy: -0.991
local terms energy: -194.112549
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -38.252
flat angles P-C4'-P energy: -30.373
tors. eta vs tors. theta energy: -52.156
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: 122
Temperature: 1.100000
Total energy: -574.982392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.982392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.982392 (E_RNA)
where:
Base-Base interactions energy: -369.513
where: short stacking energy: -169.728
Base-Backbone interact. energy: -0.378
local terms energy: -205.091411
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -56.484
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: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -505.676638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.676638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.676638 (E_RNA)
where:
Base-Base interactions energy: -340.058
where: short stacking energy: -142.700
Base-Backbone interact. energy: -0.625
local terms energy: -164.993326
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -35.953
flat angles C4'-P-C4' energy: -42.387
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -43.562
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: 122
Temperature: 1.200000
Total energy: -339.332355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.332355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.332355 (E_RNA)
where:
Base-Base interactions energy: -185.112
where: short stacking energy: -90.181
Base-Backbone interact. energy: 2.994
local terms energy: -157.214153
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -30.009
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -306.996047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.996047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.996047 (E_RNA)
where:
Base-Base interactions energy: -171.831
where: short stacking energy: -94.420
Base-Backbone interact. energy: -1.513
local terms energy: -133.652452
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -27.876
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -195.182425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.182425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.182425 (E_RNA)
where:
Base-Base interactions energy: -73.405
where: short stacking energy: -60.181
Base-Backbone interact. energy: 1.540
local terms energy: -123.316685
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -38.345
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -176.739695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.739695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.739695 (E_RNA)
where:
Base-Base interactions energy: -63.971
where: short stacking energy: -57.648
Base-Backbone interact. energy: 2.900
local terms energy: -115.668737
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -5.184
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -668.374180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.374180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.374180 (E_RNA)
where:
Base-Base interactions energy: -455.435
where: short stacking energy: -210.464
Base-Backbone interact. energy: -0.923
local terms energy: -212.015755
where:
bonds (distance) C4'-P energy: -38.849
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -40.202
flat angles P-C4'-P energy: -28.807
tors. eta vs tors. theta energy: -65.899
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: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -651.715869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.715869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.715869 (E_RNA)
where:
Base-Base interactions energy: -444.547
where: short stacking energy: -198.428
Base-Backbone interact. energy: -1.092
local terms energy: -206.076809
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -43.901
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -57.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -611.564880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.564880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.564880 (E_RNA)
where:
Base-Base interactions energy: -404.792
where: short stacking energy: -174.396
Base-Backbone interact. energy: -2.316
local terms energy: -204.456634
where:
bonds (distance) C4'-P energy: -43.064
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -55.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -609.657017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.657017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.657017 (E_RNA)
where:
Base-Base interactions energy: -410.493
where: short stacking energy: -177.810
Base-Backbone interact. energy: -0.414
local terms energy: -198.750496
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -37.573
flat angles C4'-P-C4' energy: -41.734
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -54.277
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: 123
Temperature: 1.100000
Total energy: -549.289939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.289939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.289939 (E_RNA)
where:
Base-Base interactions energy: -388.754
where: short stacking energy: -174.808
Base-Backbone interact. energy: -0.484
local terms energy: -160.051319
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -35.278
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -44.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -505.517541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.517541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.517541 (E_RNA)
where:
Base-Base interactions energy: -338.933
where: short stacking energy: -141.626
Base-Backbone interact. energy: -1.616
local terms energy: -164.968938
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -42.335
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -38.108
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: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -366.098670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.098670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.098670 (E_RNA)
where:
Base-Base interactions energy: -193.999
where: short stacking energy: -109.914
Base-Backbone interact. energy: 0.928
local terms energy: -173.027064
where:
bonds (distance) C4'-P energy: -34.972
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -43.723
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -303.367361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.367361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.367361 (E_RNA)
where:
Base-Base interactions energy: -177.121
where: short stacking energy: -74.406
Base-Backbone interact. energy: -0.489
local terms energy: -125.757241
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -36.209
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -190.135259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.135259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.135259 (E_RNA)
where:
Base-Base interactions energy: -60.728
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.956
local terms energy: -128.450970
where:
bonds (distance) C4'-P energy: -35.741
bonds (distance) P-C4' energy: -42.393
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -171.743614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.743614 (E_RNA)
where:
Base-Base interactions energy: -63.357
where: short stacking energy: -45.129
Base-Backbone interact. energy: -0.315
local terms energy: -108.072240
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -40.346
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: 8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -668.655647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.655647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.655647 (E_RNA)
where:
Base-Base interactions energy: -446.377
where: short stacking energy: -196.688
Base-Backbone interact. energy: 0.257
local terms energy: -222.535328
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -44.335
flat angles C4'-P-C4' energy: -46.130
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -67.613
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: 124
Temperature: 0.950000
Total energy: -657.086947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.086947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.086947 (E_RNA)
where:
Base-Base interactions energy: -451.126
where: short stacking energy: -192.030
Base-Backbone interact. energy: 0.197
local terms energy: -206.158848
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -60.575
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: 124
Temperature: 1.000000
Total energy: -620.609591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.609591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.609591 (E_RNA)
where:
Base-Base interactions energy: -416.152
where: short stacking energy: -155.997
Base-Backbone interact. energy: -0.854
local terms energy: -203.604011
where:
bonds (distance) C4'-P energy: -35.574
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -51.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -556.405317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.405317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.405317 (E_RNA)
where:
Base-Base interactions energy: -365.004
where: short stacking energy: -157.878
Base-Backbone interact. energy: -0.315
local terms energy: -191.086191
where:
bonds (distance) C4'-P energy: -35.448
bonds (distance) P-C4' energy: -39.620
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -54.531
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -528.072258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.072258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.072258 (E_RNA)
where:
Base-Base interactions energy: -345.897
where: short stacking energy: -147.399
Base-Backbone interact. energy: -0.015
local terms energy: -182.160201
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -44.502
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: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -525.045801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.045801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.045801 (E_RNA)
where:
Base-Base interactions energy: -345.667
where: short stacking energy: -158.865
Base-Backbone interact. energy: 1.926
local terms energy: -181.305024
where:
bonds (distance) C4'-P energy: -39.513
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -46.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -381.483794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.483794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.483794 (E_RNA)
where:
Base-Base interactions energy: -208.413
where: short stacking energy: -101.271
Base-Backbone interact. energy: -1.231
local terms energy: -171.839689
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -28.302
tors. eta vs tors. theta energy: -30.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -259.518536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.518536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.518536 (E_RNA)
where:
Base-Base interactions energy: -125.476
where: short stacking energy: -72.444
Base-Backbone interact. energy: -1.246
local terms energy: -132.796657
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -39.403
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -174.928483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.928483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.928483 (E_RNA)
where:
Base-Base interactions energy: -56.156
where: short stacking energy: -53.169
Base-Backbone interact. energy: -1.948
local terms energy: -116.824697
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: 4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -177.752827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.752827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.752827 (E_RNA)
where:
Base-Base interactions energy: -60.101
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.338
local terms energy: -117.313445
where:
bonds (distance) C4'-P energy: -40.132
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -3.759
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: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -683.708552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.708552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.708552 (E_RNA)
where:
Base-Base interactions energy: -459.210
where: short stacking energy: -207.684
Base-Backbone interact. energy: -1.207
local terms energy: -223.291839
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -44.373
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -65.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -661.167308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.167308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.167308 (E_RNA)
where:
Base-Base interactions energy: -448.504
where: short stacking energy: -189.328
Base-Backbone interact. energy: -0.166
local terms energy: -212.497764
where:
bonds (distance) C4'-P energy: -45.120
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -61.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -626.351698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.351698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.351698 (E_RNA)
where:
Base-Base interactions energy: -395.789
where: short stacking energy: -170.794
Base-Backbone interact. energy: -0.661
local terms energy: -229.900895
where:
bonds (distance) C4'-P energy: -46.140
bonds (distance) P-C4' energy: -40.334
flat angles C4'-P-C4' energy: -49.542
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: -65.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -574.773043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.773043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.773043 (E_RNA)
where:
Base-Base interactions energy: -384.967
where: short stacking energy: -157.676
Base-Backbone interact. energy: 0.002
local terms energy: -189.807383
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -39.906
flat angles C4'-P-C4' energy: -37.197
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -51.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -531.957228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.957228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.957228 (E_RNA)
where:
Base-Base interactions energy: -355.754
where: short stacking energy: -143.675
Base-Backbone interact. energy: -0.128
local terms energy: -176.075227
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -44.653
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -43.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -519.363058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.363058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.363058 (E_RNA)
where:
Base-Base interactions energy: -330.954
where: short stacking energy: -142.113
Base-Backbone interact. energy: 0.244
local terms energy: -188.653330
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -38.590
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -376.195982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.195982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.195982 (E_RNA)
where:
Base-Base interactions energy: -227.574
where: short stacking energy: -100.279
Base-Backbone interact. energy: -0.355
local terms energy: -148.266031
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -224.346222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346222 (E_RNA)
where:
Base-Base interactions energy: -86.261
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.313
local terms energy: -137.772024
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -265.897170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.897170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.897170 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -68.814
Base-Backbone interact. energy: 2.426
local terms energy: -120.404304
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -174.436631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.436631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.436631 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -37.130
Base-Backbone interact. energy: -1.903
local terms energy: -123.265267
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: 5.060
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: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -658.416488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.416488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.416488 (E_RNA)
where:
Base-Base interactions energy: -444.637
where: short stacking energy: -185.443
Base-Backbone interact. energy: -0.276
local terms energy: -213.503050
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -67.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -654.724491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.724491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.724491 (E_RNA)
where:
Base-Base interactions energy: -441.433
where: short stacking energy: -201.953
Base-Backbone interact. energy: -0.816
local terms energy: -212.474807
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -44.925
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -62.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -630.739850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.739850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.739850 (E_RNA)
where:
Base-Base interactions energy: -422.397
where: short stacking energy: -182.231
Base-Backbone interact. energy: -0.535
local terms energy: -207.807064
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: -62.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -562.630555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.630555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.630555 (E_RNA)
where:
Base-Base interactions energy: -375.170
where: short stacking energy: -170.860
Base-Backbone interact. energy: -0.748
local terms energy: -186.712764
where:
bonds (distance) C4'-P energy: -43.816
bonds (distance) P-C4' energy: -32.266
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -550.915553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.915553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.915553 (E_RNA)
where:
Base-Base interactions energy: -371.211
where: short stacking energy: -177.878
Base-Backbone interact. energy: -0.783
local terms energy: -178.921672
where:
bonds (distance) C4'-P energy: -33.918
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -47.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -528.906404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.906404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.906404 (E_RNA)
where:
Base-Base interactions energy: -354.797
where: short stacking energy: -147.177
Base-Backbone interact. energy: -0.445
local terms energy: -173.664931
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -37.287
flat angles C4'-P-C4' energy: -42.078
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -48.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -386.019969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.019969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.019969 (E_RNA)
where:
Base-Base interactions energy: -218.234
where: short stacking energy: -114.868
Base-Backbone interact. energy: -1.260
local terms energy: -166.525744
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -34.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -211.956179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.956179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.956179 (E_RNA)
where:
Base-Base interactions energy: -78.237
where: short stacking energy: -59.591
Base-Backbone interact. energy: 1.187
local terms energy: -134.906045
where:
bonds (distance) C4'-P energy: -32.713
bonds (distance) P-C4' energy: -42.349
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -264.550790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.550790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.550790 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.973
local terms energy: -133.422067
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -206.533168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.533168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.533168 (E_RNA)
where:
Base-Base interactions energy: -93.000
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.554
local terms energy: -112.979099
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -32.873
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: 10.207
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: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -667.236101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.236101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.236101 (E_RNA)
where:
Base-Base interactions energy: -456.356
where: short stacking energy: -207.810
Base-Backbone interact. energy: -0.265
local terms energy: -210.615694
where:
bonds (distance) C4'-P energy: -35.206
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -43.888
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -62.727
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: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -642.071397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.071397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.071397 (E_RNA)
where:
Base-Base interactions energy: -434.827
where: short stacking energy: -184.141
Base-Backbone interact. energy: -0.502
local terms energy: -206.742891
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -41.231
flat angles C4'-P-C4' energy: -45.188
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -54.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -634.321149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.321149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.321149 (E_RNA)
where:
Base-Base interactions energy: -420.574
where: short stacking energy: -195.445
Base-Backbone interact. energy: -0.944
local terms energy: -212.802391
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -41.731
flat angles C4'-P-C4' energy: -40.325
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -56.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -570.714161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.714161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.714161 (E_RNA)
where:
Base-Base interactions energy: -376.365
where: short stacking energy: -156.024
Base-Backbone interact. energy: 0.095
local terms energy: -194.443709
where:
bonds (distance) C4'-P energy: -42.135
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -41.864
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -45.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -540.043951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.043951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.043951 (E_RNA)
where:
Base-Base interactions energy: -351.802
where: short stacking energy: -161.401
Base-Backbone interact. energy: -1.670
local terms energy: -186.572024
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -44.692
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -51.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -543.032327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.032327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.032327 (E_RNA)
where:
Base-Base interactions energy: -362.930
where: short stacking energy: -142.783
Base-Backbone interact. energy: -0.179
local terms energy: -179.923065
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -46.219
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: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -363.071235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.071235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.071235 (E_RNA)
where:
Base-Base interactions energy: -209.794
where: short stacking energy: -104.535
Base-Backbone interact. energy: -0.417
local terms energy: -152.860391
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -285.873025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.873025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.873025 (E_RNA)
where:
Base-Base interactions energy: -165.692
where: short stacking energy: -84.576
Base-Backbone interact. energy: -1.139
local terms energy: -119.042035
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -183.211715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211715 (E_RNA)
where:
Base-Base interactions energy: -54.732
where: short stacking energy: -46.120
Base-Backbone interact. energy: -0.454
local terms energy: -128.025606
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: 2.097
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: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -172.954663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.954663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.954663 (E_RNA)
where:
Base-Base interactions energy: -57.351
where: short stacking energy: -53.140
Base-Backbone interact. energy: -0.535
local terms energy: -115.068667
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: 5.023
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -660.947261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.947261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.947261 (E_RNA)
where:
Base-Base interactions energy: -451.197
where: short stacking energy: -199.203
Base-Backbone interact. energy: -0.645
local terms energy: -209.105342
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -50.471
flat angles P-C4'-P energy: -30.863
tors. eta vs tors. theta energy: -55.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -668.185352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.185352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.185352 (E_RNA)
where:
Base-Base interactions energy: -457.461
where: short stacking energy: -204.811
Base-Backbone interact. energy: 1.785
local terms energy: -212.509076
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -45.341
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -64.497
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: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -594.022929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.022929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.022929 (E_RNA)
where:
Base-Base interactions energy: -399.902
where: short stacking energy: -165.309
Base-Backbone interact. energy: 0.067
local terms energy: -194.188202
where:
bonds (distance) C4'-P energy: -38.189
bonds (distance) P-C4' energy: -40.698
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -24.295
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: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -593.059555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.059555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.059555 (E_RNA)
where:
Base-Base interactions energy: -402.927
where: short stacking energy: -175.197
Base-Backbone interact. energy: -0.456
local terms energy: -189.676260
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -43.567
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -51.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -558.649060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.649060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.649060 (E_RNA)
where:
Base-Base interactions energy: -380.657
where: short stacking energy: -171.776
Base-Backbone interact. energy: 2.697
local terms energy: -180.689861
where:
bonds (distance) C4'-P energy: -40.965
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -41.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -557.021100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.021100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.021100 (E_RNA)
where:
Base-Base interactions energy: -377.626
where: short stacking energy: -152.849
Base-Backbone interact. energy: -0.486
local terms energy: -178.909275
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -36.118
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -42.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -420.483728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.483728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.483728 (E_RNA)
where:
Base-Base interactions energy: -255.524
where: short stacking energy: -114.944
Base-Backbone interact. energy: -2.292
local terms energy: -162.667519
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -24.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -293.363036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.363036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.363036 (E_RNA)
where:
Base-Base interactions energy: -158.009
where: short stacking energy: -87.845
Base-Backbone interact. energy: 0.649
local terms energy: -136.003152
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -42.921
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -183.837947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.837947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.837947 (E_RNA)
where:
Base-Base interactions energy: -56.166
where: short stacking energy: -55.034
Base-Backbone interact. energy: 0.122
local terms energy: -127.794259
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -189.107575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.107575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.107575 (E_RNA)
where:
Base-Base interactions energy: -79.650
where: short stacking energy: -77.980
Base-Backbone interact. energy: 0.278
local terms energy: -109.735228
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -653.522244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.522244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.522244 (E_RNA)
where:
Base-Base interactions energy: -433.836
where: short stacking energy: -186.570
Base-Backbone interact. energy: 2.003
local terms energy: -221.689221
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -61.902
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: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -653.826129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.826129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.826129 (E_RNA)
where:
Base-Base interactions energy: -440.782
where: short stacking energy: -207.002
Base-Backbone interact. energy: -2.853
local terms energy: -210.191314
where:
bonds (distance) C4'-P energy: -39.760
bonds (distance) P-C4' energy: -37.579
flat angles C4'-P-C4' energy: -43.481
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -63.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -577.432305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.432305 (E_RNA)
where:
Base-Base interactions energy: -381.242
where: short stacking energy: -178.206
Base-Backbone interact. energy: -0.155
local terms energy: -196.035241
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -53.665
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: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -599.710749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.710749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.710749 (E_RNA)
where:
Base-Base interactions energy: -406.597
where: short stacking energy: -179.948
Base-Backbone interact. energy: -1.855
local terms energy: -191.258893
where:
bonds (distance) C4'-P energy: -39.603
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -52.504
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: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -573.955278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.955278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.955278 (E_RNA)
where:
Base-Base interactions energy: -384.045
where: short stacking energy: -177.206
Base-Backbone interact. energy: -0.265
local terms energy: -189.645738
where:
bonds (distance) C4'-P energy: -35.981
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -42.291
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -56.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -528.246842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.246842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.246842 (E_RNA)
where:
Base-Base interactions energy: -338.135
where: short stacking energy: -148.538
Base-Backbone interact. energy: 1.518
local terms energy: -191.629754
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -37.751
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -33.550
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: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -391.177572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.177572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.177572 (E_RNA)
where:
Base-Base interactions energy: -235.337
where: short stacking energy: -103.679
Base-Backbone interact. energy: 4.695
local terms energy: -160.535183
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -25.719
tors. eta vs tors. theta energy: -26.366
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: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -284.702885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.702885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.702885 (E_RNA)
where:
Base-Base interactions energy: -143.659
where: short stacking energy: -78.586
Base-Backbone interact. energy: 1.057
local terms energy: -142.100757
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -180.145141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.145141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.145141 (E_RNA)
where:
Base-Base interactions energy: -62.315
where: short stacking energy: -45.871
Base-Backbone interact. energy: -0.456
local terms energy: -117.375033
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -39.966
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -163.816374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.816374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.816374 (E_RNA)
where:
Base-Base interactions energy: -50.843
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.480
local terms energy: -112.494084
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -666.189781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.189781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.189781 (E_RNA)
where:
Base-Base interactions energy: -456.067
where: short stacking energy: -199.807
Base-Backbone interact. energy: -0.650
local terms energy: -209.472796
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -35.153
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -59.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -655.256028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.256028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.256028 (E_RNA)
where:
Base-Base interactions energy: -441.616
where: short stacking energy: -208.116
Base-Backbone interact. energy: -0.327
local terms energy: -213.313010
where:
bonds (distance) C4'-P energy: -42.704
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -45.145
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -68.234
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: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -616.104859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.104859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.104859 (E_RNA)
where:
Base-Base interactions energy: -411.364
where: short stacking energy: -176.705
Base-Backbone interact. energy: 0.208
local terms energy: -204.949000
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -58.168
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -595.940823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.940823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.940823 (E_RNA)
where:
Base-Base interactions energy: -397.773
where: short stacking energy: -164.677
Base-Backbone interact. energy: -0.389
local terms energy: -197.778597
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -38.745
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -59.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -561.431639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.431639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.431639 (E_RNA)
where:
Base-Base interactions energy: -366.887
where: short stacking energy: -165.942
Base-Backbone interact. energy: -0.187
local terms energy: -194.357647
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -40.671
flat angles P-C4'-P energy: -30.135
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -550.556096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.556096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.556096 (E_RNA)
where:
Base-Base interactions energy: -362.094
where: short stacking energy: -146.129
Base-Backbone interact. energy: -0.740
local terms energy: -187.722219
where:
bonds (distance) C4'-P energy: -32.246
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -52.302
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: 130
Temperature: 1.200000
Total energy: -377.708322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.708322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.708322 (E_RNA)
where:
Base-Base interactions energy: -221.557
where: short stacking energy: -110.022
Base-Backbone interact. energy: 0.898
local terms energy: -157.049594
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -24.178
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -290.470013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.470013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.470013 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -78.563
Base-Backbone interact. energy: -0.615
local terms energy: -147.244108
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -37.111
flat angles C4'-P-C4' energy: -40.510
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -171.131767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.131767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.131767 (E_RNA)
where:
Base-Base interactions energy: -48.584
where: short stacking energy: -29.009
Base-Backbone interact. energy: -1.204
local terms energy: -121.343372
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: 8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -186.116989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.116989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.116989 (E_RNA)
where:
Base-Base interactions energy: -71.971
where: short stacking energy: -47.281
Base-Backbone interact. energy: -1.567
local terms energy: -112.579296
where:
bonds (distance) C4'-P energy: -34.868
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -23.452
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: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -663.339536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.339536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.339536 (E_RNA)
where:
Base-Base interactions energy: -447.293
where: short stacking energy: -197.975
Base-Backbone interact. energy: 1.010
local terms energy: -217.056907
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -45.496
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: -58.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -651.389185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.389185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.389185 (E_RNA)
where:
Base-Base interactions energy: -445.173
where: short stacking energy: -199.396
Base-Backbone interact. energy: -0.316
local terms energy: -205.899971
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -62.734
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: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -625.732180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.732180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.732180 (E_RNA)
where:
Base-Base interactions energy: -417.247
where: short stacking energy: -194.003
Base-Backbone interact. energy: -1.110
local terms energy: -207.375480
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -42.019
flat angles C4'-P-C4' energy: -45.138
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -59.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -607.670714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.670714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.670714 (E_RNA)
where:
Base-Base interactions energy: -420.815
where: short stacking energy: -162.675
Base-Backbone interact. energy: -0.208
local terms energy: -186.648167
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -42.846
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -52.228
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: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -564.712569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.712569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.712569 (E_RNA)
where:
Base-Base interactions energy: -373.648
where: short stacking energy: -166.934
Base-Backbone interact. energy: -0.715
local terms energy: -190.349316
where:
bonds (distance) C4'-P energy: -36.669
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -42.263
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -50.029
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -577.082181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.082181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.082181 (E_RNA)
where:
Base-Base interactions energy: -386.789
where: short stacking energy: -172.896
Base-Backbone interact. energy: -0.982
local terms energy: -189.311376
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -30.517
tors. eta vs tors. theta energy: -51.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -395.229329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.229329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.229329 (E_RNA)
where:
Base-Base interactions energy: -242.571
where: short stacking energy: -123.874
Base-Backbone interact. energy: -0.772
local terms energy: -151.886646
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -33.249
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -35.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -292.984845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.984845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.984845 (E_RNA)
where:
Base-Base interactions energy: -163.347
where: short stacking energy: -90.977
Base-Backbone interact. energy: -0.100
local terms energy: -129.538044
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -34.705
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -9.301
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: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -174.227827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.227827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.227827 (E_RNA)
where:
Base-Base interactions energy: -64.475
where: short stacking energy: -49.629
Base-Backbone interact. energy: 0.937
local terms energy: -110.689431
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -41.672
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -18.986
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: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -173.939914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.939914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.939914 (E_RNA)
where:
Base-Base interactions energy: -65.669
where: short stacking energy: -48.251
Base-Backbone interact. energy: 2.884
local terms energy: -111.154773
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -38.819
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: 9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -650.595133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.595133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.595133 (E_RNA)
where:
Base-Base interactions energy: -425.870
where: short stacking energy: -187.968
Base-Backbone interact. energy: -2.321
local terms energy: -222.403219
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -39.244
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -33.240
tors. eta vs tors. theta energy: -60.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -637.854224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.854224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.854224 (E_RNA)
where:
Base-Base interactions energy: -438.909
where: short stacking energy: -174.533
Base-Backbone interact. energy: -0.580
local terms energy: -198.365993
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -37.136
flat angles C4'-P-C4' energy: -47.057
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -52.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -638.260874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.260874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.260874 (E_RNA)
where:
Base-Base interactions energy: -419.611
where: short stacking energy: -199.781
Base-Backbone interact. energy: -0.853
local terms energy: -217.796661
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -37.551
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -69.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -602.229569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.229569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.229569 (E_RNA)
where:
Base-Base interactions energy: -395.752
where: short stacking energy: -162.855
Base-Backbone interact. energy: -1.266
local terms energy: -205.211500
where:
bonds (distance) C4'-P energy: -37.990
bonds (distance) P-C4' energy: -40.643
flat angles C4'-P-C4' energy: -44.467
flat angles P-C4'-P energy: -31.730
tors. eta vs tors. theta energy: -50.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -590.983556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.983556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.983556 (E_RNA)
where:
Base-Base interactions energy: -382.157
where: short stacking energy: -169.298
Base-Backbone interact. energy: 0.532
local terms energy: -209.358887
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -45.037
flat angles P-C4'-P energy: -28.755
tors. eta vs tors. theta energy: -57.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -529.406113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.406113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.406113 (E_RNA)
where:
Base-Base interactions energy: -345.693
where: short stacking energy: -148.068
Base-Backbone interact. energy: -0.322
local terms energy: -183.390353
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -49.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -419.301538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.301538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.301538 (E_RNA)
where:
Base-Base interactions energy: -261.797
where: short stacking energy: -121.384
Base-Backbone interact. energy: -0.756
local terms energy: -156.748665
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -297.714196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.714196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.714196 (E_RNA)
where:
Base-Base interactions energy: -164.882
where: short stacking energy: -85.178
Base-Backbone interact. energy: 0.515
local terms energy: -133.346604
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -176.171105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.171105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.171105 (E_RNA)
where:
Base-Base interactions energy: -55.513
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.218
local terms energy: -120.440084
where:
bonds (distance) C4'-P energy: -34.456
bonds (distance) P-C4' energy: -36.683
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -23.680
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -170.640897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.640897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.640897 (E_RNA)
where:
Base-Base interactions energy: -62.628
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.609
local terms energy: -107.404122
where:
bonds (distance) C4'-P energy: -35.533
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -644.423461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.423461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.423461 (E_RNA)
where:
Base-Base interactions energy: -424.607
where: short stacking energy: -180.773
Base-Backbone interact. energy: -0.362
local terms energy: -219.455368
where:
bonds (distance) C4'-P energy: -39.590
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -59.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -657.583768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.583768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.583768 (E_RNA)
where:
Base-Base interactions energy: -449.857
where: short stacking energy: -198.887
Base-Backbone interact. energy: -0.578
local terms energy: -207.148702
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: -63.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -624.313001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.313001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.313001 (E_RNA)
where:
Base-Base interactions energy: -426.210
where: short stacking energy: -191.705
Base-Backbone interact. energy: -0.039
local terms energy: -198.064494
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -37.699
flat angles C4'-P-C4' energy: -44.505
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -55.183
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: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -586.070150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.070150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.070150 (E_RNA)
where:
Base-Base interactions energy: -384.931
where: short stacking energy: -165.048
Base-Backbone interact. energy: -1.059
local terms energy: -200.079560
where:
bonds (distance) C4'-P energy: -36.559
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -55.389
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -592.272027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.272027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.272027 (E_RNA)
where:
Base-Base interactions energy: -399.886
where: short stacking energy: -165.282
Base-Backbone interact. energy: 0.118
local terms energy: -192.504203
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -37.109
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -56.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -551.701695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.701695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.701695 (E_RNA)
where:
Base-Base interactions energy: -367.606
where: short stacking energy: -167.669
Base-Backbone interact. energy: -1.028
local terms energy: -183.067698
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -42.547
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -50.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -436.340208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.340208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.340208 (E_RNA)
where:
Base-Base interactions energy: -293.064
where: short stacking energy: -121.390
Base-Backbone interact. energy: -0.475
local terms energy: -142.801485
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -12.786
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -314.599059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.599059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.599059 (E_RNA)
where:
Base-Base interactions energy: -174.850
where: short stacking energy: -91.204
Base-Backbone interact. energy: -1.137
local terms energy: -138.611616
where:
bonds (distance) C4'-P energy: -40.129
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -188.704306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.704306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.704306 (E_RNA)
where:
Base-Base interactions energy: -59.631
where: short stacking energy: -50.093
Base-Backbone interact. energy: 0.315
local terms energy: -129.388507
where:
bonds (distance) C4'-P energy: -34.575
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: 3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -154.963769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.963769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.963769 (E_RNA)
where:
Base-Base interactions energy: -58.277
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.318
local terms energy: -96.368297
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: 9.483
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -658.594365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.594365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.594365 (E_RNA)
where:
Base-Base interactions energy: -445.939
where: short stacking energy: -186.753
Base-Backbone interact. energy: -0.656
local terms energy: -211.999059
where:
bonds (distance) C4'-P energy: -42.173
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -47.565
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -55.359
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: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -618.362666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.362666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.362666 (E_RNA)
where:
Base-Base interactions energy: -408.035
where: short stacking energy: -188.664
Base-Backbone interact. energy: -0.709
local terms energy: -209.618531
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -42.831
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -50.115
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: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -641.683692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.683692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.683692 (E_RNA)
where:
Base-Base interactions energy: -436.492
where: short stacking energy: -201.810
Base-Backbone interact. energy: 0.577
local terms energy: -205.768845
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -42.340
flat angles P-C4'-P energy: -35.450
tors. eta vs tors. theta energy: -59.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -600.577862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.577862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.577862 (E_RNA)
where:
Base-Base interactions energy: -398.597
where: short stacking energy: -176.835
Base-Backbone interact. energy: -0.213
local terms energy: -201.767469
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -40.933
flat angles C4'-P-C4' energy: -41.964
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -56.528
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: 134
Temperature: 1.100000
Total energy: -572.723576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.723576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.723576 (E_RNA)
where:
Base-Base interactions energy: -385.346
where: short stacking energy: -158.319
Base-Backbone interact. energy: 5.356
local terms energy: -192.733129
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -42.044
flat angles C4'-P-C4' energy: -40.552
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -51.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -538.994006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.994006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.994006 (E_RNA)
where:
Base-Base interactions energy: -354.212
where: short stacking energy: -169.189
Base-Backbone interact. energy: 1.456
local terms energy: -186.238329
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -35.684
flat angles C4'-P-C4' energy: -35.154
flat angles P-C4'-P energy: -29.755
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: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -429.884403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.884403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.884403 (E_RNA)
where:
Base-Base interactions energy: -258.782
where: short stacking energy: -124.248
Base-Backbone interact. energy: -0.237
local terms energy: -170.864474
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -33.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -291.728980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.728980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.728980 (E_RNA)
where:
Base-Base interactions energy: -167.811
where: short stacking energy: -74.403
Base-Backbone interact. energy: -1.876
local terms energy: -122.041697
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -36.742
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -172.635229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.635229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.635229 (E_RNA)
where:
Base-Base interactions energy: -52.824
where: short stacking energy: -35.263
Base-Backbone interact. energy: -2.931
local terms energy: -116.880425
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: 15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -178.411450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.411450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.411450 (E_RNA)
where:
Base-Base interactions energy: -56.516
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.515
local terms energy: -121.381101
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -34.798
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -682.765072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.765072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.765072 (E_RNA)
where:
Base-Base interactions energy: -463.318
where: short stacking energy: -198.888
Base-Backbone interact. energy: -0.740
local terms energy: -218.707332
where:
bonds (distance) C4'-P energy: -36.566
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -42.560
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -62.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -637.620524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.620524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.620524 (E_RNA)
where:
Base-Base interactions energy: -417.487
where: short stacking energy: -187.425
Base-Backbone interact. energy: -3.211
local terms energy: -216.921992
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -39.646
flat angles C4'-P-C4' energy: -44.084
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -59.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -628.504976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.504976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.504976 (E_RNA)
where:
Base-Base interactions energy: -424.720
where: short stacking energy: -178.054
Base-Backbone interact. energy: -0.917
local terms energy: -202.867920
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -43.848
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -590.542089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.542089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.542089 (E_RNA)
where:
Base-Base interactions energy: -401.033
where: short stacking energy: -171.042
Base-Backbone interact. energy: 1.095
local terms energy: -190.603591
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -41.455
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -54.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -588.589590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.589590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.589590 (E_RNA)
where:
Base-Base interactions energy: -393.801
where: short stacking energy: -170.152
Base-Backbone interact. energy: -0.287
local terms energy: -194.501749
where:
bonds (distance) C4'-P energy: -40.692
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -38.989
flat angles P-C4'-P energy: -31.758
tors. eta vs tors. theta energy: -55.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -501.781591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.781591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.781591 (E_RNA)
where:
Base-Base interactions energy: -304.948
where: short stacking energy: -137.004
Base-Backbone interact. energy: 0.154
local terms energy: -196.987580
where:
bonds (distance) C4'-P energy: -36.569
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -44.786
flat angles P-C4'-P energy: -36.308
tors. eta vs tors. theta energy: -41.744
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: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -383.854477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.854477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.854477 (E_RNA)
where:
Base-Base interactions energy: -231.951
where: short stacking energy: -113.953
Base-Backbone interact. energy: 0.161
local terms energy: -152.063926
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -288.569045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.569045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.569045 (E_RNA)
where:
Base-Base interactions energy: -149.080
where: short stacking energy: -87.620
Base-Backbone interact. energy: -0.115
local terms energy: -139.373302
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -9.950
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: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -205.051784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.051784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.051784 (E_RNA)
where:
Base-Base interactions energy: -82.204
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.340
local terms energy: -122.507330
where:
bonds (distance) C4'-P energy: -37.134
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -26.753
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -176.194320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.194320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.194320 (E_RNA)
where:
Base-Base interactions energy: -61.599
where: short stacking energy: -50.312
Base-Backbone interact. energy: -0.152
local terms energy: -114.443510
where:
bonds (distance) C4'-P energy: -32.064
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -31.865
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: 2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -677.780389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.780389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.780389 (E_RNA)
where:
Base-Base interactions energy: -458.861
where: short stacking energy: -197.328
Base-Backbone interact. energy: -0.382
local terms energy: -218.537124
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -38.673
flat angles C4'-P-C4' energy: -41.692
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -58.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -641.167063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.167063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.167063 (E_RNA)
where:
Base-Base interactions energy: -430.552
where: short stacking energy: -201.153
Base-Backbone interact. energy: -0.870
local terms energy: -209.744748
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -40.326
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -61.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -621.959493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.959493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.959493 (E_RNA)
where:
Base-Base interactions energy: -414.708
where: short stacking energy: -181.974
Base-Backbone interact. energy: -0.322
local terms energy: -206.930339
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -40.938
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -60.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -561.868747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.868747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.868747 (E_RNA)
where:
Base-Base interactions energy: -369.915
where: short stacking energy: -153.286
Base-Backbone interact. energy: 0.034
local terms energy: -191.987332
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -41.179
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -46.635
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: 136
Temperature: 1.100000
Total energy: -569.270306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.270306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.270306 (E_RNA)
where:
Base-Base interactions energy: -378.507
where: short stacking energy: -154.156
Base-Backbone interact. energy: 0.498
local terms energy: -191.261433
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -37.945
flat angles C4'-P-C4' energy: -43.698
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -45.900
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: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -518.079248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.079248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.079248 (E_RNA)
where:
Base-Base interactions energy: -333.672
where: short stacking energy: -150.668
Base-Backbone interact. energy: -0.115
local terms energy: -184.292556
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -40.035
flat angles C4'-P-C4' energy: -37.960
flat angles P-C4'-P energy: -27.261
tors. eta vs tors. theta energy: -44.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -400.531151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.531151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.531151 (E_RNA)
where:
Base-Base interactions energy: -232.769
where: short stacking energy: -116.424
Base-Backbone interact. energy: -0.238
local terms energy: -167.524039
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -39.918
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -32.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -273.053341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.053341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.053341 (E_RNA)
where:
Base-Base interactions energy: -146.708
where: short stacking energy: -73.102
Base-Backbone interact. energy: -1.530
local terms energy: -124.815218
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -192.646749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.646749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.646749 (E_RNA)
where:
Base-Base interactions energy: -90.605
where: short stacking energy: -65.343
Base-Backbone interact. energy: 4.608
local terms energy: -106.650535
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -30.556
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -180.011012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.011012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.011012 (E_RNA)
where:
Base-Base interactions energy: -61.646
where: short stacking energy: -59.820
Base-Backbone interact. energy: -0.195
local terms energy: -118.169812
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -681.277724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.277724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.277724 (E_RNA)
where:
Base-Base interactions energy: -465.695
where: short stacking energy: -207.196
Base-Backbone interact. energy: 0.289
local terms energy: -215.870985
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -39.038
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: -64.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -631.841495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.841495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.841495 (E_RNA)
where:
Base-Base interactions energy: -415.774
where: short stacking energy: -177.507
Base-Backbone interact. energy: 0.011
local terms energy: -216.078531
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: -58.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -644.458135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.458135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.458135 (E_RNA)
where:
Base-Base interactions energy: -425.358
where: short stacking energy: -200.035
Base-Backbone interact. energy: -0.833
local terms energy: -218.267246
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -38.423
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -67.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -567.142168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.142168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.142168 (E_RNA)
where:
Base-Base interactions energy: -372.063
where: short stacking energy: -161.681
Base-Backbone interact. energy: -0.195
local terms energy: -194.884318
where:
bonds (distance) C4'-P energy: -41.112
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -48.196
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -544.019248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.019248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.019248 (E_RNA)
where:
Base-Base interactions energy: -375.212
where: short stacking energy: -158.388
Base-Backbone interact. energy: -0.410
local terms energy: -168.396909
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -36.580
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -43.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -523.704408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.704408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.704408 (E_RNA)
where:
Base-Base interactions energy: -346.553
where: short stacking energy: -160.610
Base-Backbone interact. energy: 0.787
local terms energy: -177.938736
where:
bonds (distance) C4'-P energy: -36.097
bonds (distance) P-C4' energy: -33.780
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -50.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -414.364783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.364783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.364783 (E_RNA)
where:
Base-Base interactions energy: -268.800
where: short stacking energy: -124.097
Base-Backbone interact. energy: 0.598
local terms energy: -146.163012
where:
bonds (distance) C4'-P energy: -32.534
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -281.102362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.102362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.102362 (E_RNA)
where:
Base-Base interactions energy: -127.769
where: short stacking energy: -68.384
Base-Backbone interact. energy: -1.167
local terms energy: -152.165648
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -37.936
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -23.932
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: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -190.189842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.189842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.189842 (E_RNA)
where:
Base-Base interactions energy: -69.033
where: short stacking energy: -52.321
Base-Backbone interact. energy: -0.718
local terms energy: -120.439420
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: 2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -171.341524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.341524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.341524 (E_RNA)
where:
Base-Base interactions energy: -66.454
where: short stacking energy: -41.336
Base-Backbone interact. energy: -0.516
local terms energy: -104.371122
where:
bonds (distance) C4'-P energy: -37.557
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: 5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -669.640345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.640345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.640345 (E_RNA)
where:
Base-Base interactions energy: -448.236
where: short stacking energy: -190.661
Base-Backbone interact. energy: -1.146
local terms energy: -220.257921
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -63.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -634.577039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.577039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.577039 (E_RNA)
where:
Base-Base interactions energy: -411.547
where: short stacking energy: -183.881
Base-Backbone interact. energy: -1.550
local terms energy: -221.480168
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -58.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -648.723142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.723142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.723142 (E_RNA)
where:
Base-Base interactions energy: -436.607
where: short stacking energy: -203.693
Base-Backbone interact. energy: -0.334
local terms energy: -211.782933
where:
bonds (distance) C4'-P energy: -32.268
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -67.360
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -587.284775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.284775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.284775 (E_RNA)
where:
Base-Base interactions energy: -400.955
where: short stacking energy: -161.141
Base-Backbone interact. energy: -0.315
local terms energy: -186.014727
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -37.601
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -54.100
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: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -553.590108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.590108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.590108 (E_RNA)
where:
Base-Base interactions energy: -359.849
where: short stacking energy: -172.725
Base-Backbone interact. energy: -0.317
local terms energy: -193.423452
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -47.586
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -48.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -517.229026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.229026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.229026 (E_RNA)
where:
Base-Base interactions energy: -345.456
where: short stacking energy: -148.595
Base-Backbone interact. energy: -0.076
local terms energy: -171.697251
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -42.595
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -47.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -414.306241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.306241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.306241 (E_RNA)
where:
Base-Base interactions energy: -256.142
where: short stacking energy: -138.326
Base-Backbone interact. energy: -0.141
local terms energy: -158.022531
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -36.524
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -30.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -289.591238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.591238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.591238 (E_RNA)
where:
Base-Base interactions energy: -146.839
where: short stacking energy: -74.629
Base-Backbone interact. energy: 0.253
local terms energy: -143.005123
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -40.386
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -186.947930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.947930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.947930 (E_RNA)
where:
Base-Base interactions energy: -77.329
where: short stacking energy: -59.907
Base-Backbone interact. energy: 1.216
local terms energy: -110.834281
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -166.201860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.201860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.201860 (E_RNA)
where:
Base-Base interactions energy: -45.981
where: short stacking energy: -33.275
Base-Backbone interact. energy: -1.531
local terms energy: -118.689847
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -40.518
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: 6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -666.587261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.587261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.587261 (E_RNA)
where:
Base-Base interactions energy: -445.663
where: short stacking energy: -193.447
Base-Backbone interact. energy: -0.949
local terms energy: -219.975546
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -48.630
flat angles P-C4'-P energy: -35.338
tors. eta vs tors. theta energy: -63.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -645.707512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.707512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.707512 (E_RNA)
where:
Base-Base interactions energy: -426.495
where: short stacking energy: -198.662
Base-Backbone interact. energy: -1.319
local terms energy: -217.893112
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -33.161
tors. eta vs tors. theta energy: -63.962
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: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -621.986811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.986811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.986811 (E_RNA)
where:
Base-Base interactions energy: -416.113
where: short stacking energy: -175.817
Base-Backbone interact. energy: -0.039
local terms energy: -205.835163
where:
bonds (distance) C4'-P energy: -44.236
bonds (distance) P-C4' energy: -36.493
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -30.660
tors. eta vs tors. theta energy: -55.621
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -590.122494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.122494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.122494 (E_RNA)
where:
Base-Base interactions energy: -409.713
where: short stacking energy: -171.369
Base-Backbone interact. energy: -0.069
local terms energy: -180.340485
where:
bonds (distance) C4'-P energy: -34.716
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -55.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -557.541863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.541863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.541863 (E_RNA)
where:
Base-Base interactions energy: -373.189
where: short stacking energy: -164.821
Base-Backbone interact. energy: -0.100
local terms energy: -184.252113
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -47.777
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: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -530.909263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.909263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.909263 (E_RNA)
where:
Base-Base interactions energy: -353.903
where: short stacking energy: -176.540
Base-Backbone interact. energy: -0.760
local terms energy: -176.246399
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -25.492
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -376.689144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.689144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.689144 (E_RNA)
where:
Base-Base interactions energy: -210.873
where: short stacking energy: -98.937
Base-Backbone interact. energy: -2.634
local terms energy: -163.182086
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -39.081
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -20.291
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: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -295.939356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.939356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.939356 (E_RNA)
where:
Base-Base interactions energy: -177.268
where: short stacking energy: -76.268
Base-Backbone interact. energy: -0.432
local terms energy: -118.239234
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -6.696
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: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -221.515957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.515957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.515957 (E_RNA)
where:
Base-Base interactions energy: -96.390
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.223
local terms energy: -124.902660
where:
bonds (distance) C4'-P energy: -31.568
bonds (distance) P-C4' energy: -33.844
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -167.232236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.232236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.232236 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -31.735
Base-Backbone interact. energy: 1.157
local terms energy: -125.629457
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: 7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -672.913160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.913160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.913160 (E_RNA)
where:
Base-Base interactions energy: -460.407
where: short stacking energy: -198.878
Base-Backbone interact. energy: -0.738
local terms energy: -211.767376
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -45.868
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -61.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -660.805219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.805219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.805219 (E_RNA)
where:
Base-Base interactions energy: -431.847
where: short stacking energy: -202.800
Base-Backbone interact. energy: -1.250
local terms energy: -227.708436
where:
bonds (distance) C4'-P energy: -42.709
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -47.283
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -63.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -607.586447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.586447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.586447 (E_RNA)
where:
Base-Base interactions energy: -407.007
where: short stacking energy: -178.692
Base-Backbone interact. energy: -0.419
local terms energy: -200.160848
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -45.109
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -58.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -593.645637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.645637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.645637 (E_RNA)
where:
Base-Base interactions energy: -408.915
where: short stacking energy: -165.917
Base-Backbone interact. energy: 0.833
local terms energy: -185.563622
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -47.431
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: 140
Temperature: 1.100000
Total energy: -560.013294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.013294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.013294 (E_RNA)
where:
Base-Base interactions energy: -375.924
where: short stacking energy: -171.209
Base-Backbone interact. energy: -0.315
local terms energy: -183.774653
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -21.665
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: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -540.415827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.415827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.415827 (E_RNA)
where:
Base-Base interactions energy: -368.253
where: short stacking energy: -164.023
Base-Backbone interact. energy: -0.208
local terms energy: -171.954551
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -42.851
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -46.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -393.098130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.098130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.098130 (E_RNA)
where:
Base-Base interactions energy: -243.473
where: short stacking energy: -124.646
Base-Backbone interact. energy: -0.095
local terms energy: -149.529629
where:
bonds (distance) C4'-P energy: -41.043
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -291.254344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.254344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.254344 (E_RNA)
where:
Base-Base interactions energy: -147.167
where: short stacking energy: -70.560
Base-Backbone interact. energy: -0.669
local terms energy: -143.418975
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -37.893
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -175.580446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.580446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.580446 (E_RNA)
where:
Base-Base interactions energy: -64.193
where: short stacking energy: -43.439
Base-Backbone interact. energy: 0.234
local terms energy: -111.621489
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -39.573
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -175.732640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.732640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.732640 (E_RNA)
where:
Base-Base interactions energy: -60.550
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.333
local terms energy: -114.849007
where:
bonds (distance) C4'-P energy: -46.572
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: 2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -674.231659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.231659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.231659 (E_RNA)
where:
Base-Base interactions energy: -458.323
where: short stacking energy: -195.105
Base-Backbone interact. energy: -0.760
local terms energy: -215.148357
where:
bonds (distance) C4'-P energy: -44.186
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -59.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -643.082217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.082217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.082217 (E_RNA)
where:
Base-Base interactions energy: -423.805
where: short stacking energy: -177.501
Base-Backbone interact. energy: -0.961
local terms energy: -218.316327
where:
bonds (distance) C4'-P energy: -38.313
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -48.835
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -61.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -618.469392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.469392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.469392 (E_RNA)
where:
Base-Base interactions energy: -405.269
where: short stacking energy: -182.152
Base-Backbone interact. energy: -0.240
local terms energy: -212.960931
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -35.734
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -64.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -588.980188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.980188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.980188 (E_RNA)
where:
Base-Base interactions energy: -393.465
where: short stacking energy: -163.838
Base-Backbone interact. energy: -0.371
local terms energy: -195.144808
where:
bonds (distance) C4'-P energy: -40.279
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -40.344
flat angles P-C4'-P energy: -33.822
tors. eta vs tors. theta energy: -48.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -558.355413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.355413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.355413 (E_RNA)
where:
Base-Base interactions energy: -382.443
where: short stacking energy: -167.190
Base-Backbone interact. energy: -1.085
local terms energy: -174.827166
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -41.750
flat angles C4'-P-C4' energy: -33.844
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -43.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -523.284807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.284807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.284807 (E_RNA)
where:
Base-Base interactions energy: -337.281
where: short stacking energy: -147.770
Base-Backbone interact. energy: 0.827
local terms energy: -186.830687
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -45.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -353.130221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.130221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.130221 (E_RNA)
where:
Base-Base interactions energy: -208.409
where: short stacking energy: -98.168
Base-Backbone interact. energy: -0.901
local terms energy: -143.820176
where:
bonds (distance) C4'-P energy: -39.051
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -285.388629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.388629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.388629 (E_RNA)
where:
Base-Base interactions energy: -148.643
where: short stacking energy: -82.394
Base-Backbone interact. energy: -0.630
local terms energy: -136.115641
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -185.532455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.532455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.532455 (E_RNA)
where:
Base-Base interactions energy: -64.598
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.080
local terms energy: -120.854987
where:
bonds (distance) C4'-P energy: -33.454
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: 5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -183.537982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.537982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.537982 (E_RNA)
where:
Base-Base interactions energy: -62.714
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.922
local terms energy: -119.902549
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -32.615
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -11.750
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -671.264463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.264463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.264463 (E_RNA)
where:
Base-Base interactions energy: -454.100
where: short stacking energy: -188.664
Base-Backbone interact. energy: -2.026
local terms energy: -215.138572
where:
bonds (distance) C4'-P energy: -38.297
bonds (distance) P-C4' energy: -36.243
flat angles C4'-P-C4' energy: -44.127
flat angles P-C4'-P energy: -35.606
tors. eta vs tors. theta energy: -60.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -657.873514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.873514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.873514 (E_RNA)
where:
Base-Base interactions energy: -433.100
where: short stacking energy: -200.014
Base-Backbone interact. energy: -1.299
local terms energy: -223.475244
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -62.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -598.899974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.899974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.899974 (E_RNA)
where:
Base-Base interactions energy: -409.975
where: short stacking energy: -166.866
Base-Backbone interact. energy: -0.276
local terms energy: -188.649628
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -22.024
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: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -617.459808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.459808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.459808 (E_RNA)
where:
Base-Base interactions energy: -429.008
where: short stacking energy: -194.336
Base-Backbone interact. energy: 2.567
local terms energy: -191.018781
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -60.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -561.042502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.042502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.042502 (E_RNA)
where:
Base-Base interactions energy: -367.780
where: short stacking energy: -165.719
Base-Backbone interact. energy: -0.878
local terms energy: -192.385304
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -38.957
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -55.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -506.900101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.900101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.900101 (E_RNA)
where:
Base-Base interactions energy: -336.654
where: short stacking energy: -152.662
Base-Backbone interact. energy: -0.476
local terms energy: -169.770099
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -35.693
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -45.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -354.327630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.327630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.327630 (E_RNA)
where:
Base-Base interactions energy: -203.497
where: short stacking energy: -110.681
Base-Backbone interact. energy: -1.348
local terms energy: -149.482412
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -34.862
flat angles C4'-P-C4' energy: -36.703
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: -23.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -327.807329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.807329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.807329 (E_RNA)
where:
Base-Base interactions energy: -178.970
where: short stacking energy: -91.073
Base-Backbone interact. energy: 1.345
local terms energy: -150.182659
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -40.654
flat angles C4'-P-C4' energy: -37.370
flat angles P-C4'-P energy: -26.606
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -187.885527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.885527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.885527 (E_RNA)
where:
Base-Base interactions energy: -75.785
where: short stacking energy: -56.724
Base-Backbone interact. energy: -1.296
local terms energy: -110.803997
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: 4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -170.239597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.239597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.239597 (E_RNA)
where:
Base-Base interactions energy: -66.162
where: short stacking energy: -50.221
Base-Backbone interact. energy: -0.809
local terms energy: -103.268535
where:
bonds (distance) C4'-P energy: -33.968
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: 9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -665.229446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.229446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.229446 (E_RNA)
where:
Base-Base interactions energy: -455.942
where: short stacking energy: -201.661
Base-Backbone interact. energy: -0.337
local terms energy: -208.950643
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -42.329
flat angles C4'-P-C4' energy: -44.590
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -56.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -653.116758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.116758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.116758 (E_RNA)
where:
Base-Base interactions energy: -437.819
where: short stacking energy: -196.418
Base-Backbone interact. energy: -0.348
local terms energy: -214.949856
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -43.819
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -60.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -593.635300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.635300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.635300 (E_RNA)
where:
Base-Base interactions energy: -400.341
where: short stacking energy: -164.900
Base-Backbone interact. energy: -0.709
local terms energy: -192.585178
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -39.318
flat angles C4'-P-C4' energy: -43.176
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -49.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -611.823076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.823076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.823076 (E_RNA)
where:
Base-Base interactions energy: -400.362
where: short stacking energy: -183.247
Base-Backbone interact. energy: -1.438
local terms energy: -210.023532
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -34.444
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -539.654938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.654938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.654938 (E_RNA)
where:
Base-Base interactions energy: -368.858
where: short stacking energy: -155.599
Base-Backbone interact. energy: -0.318
local terms energy: -170.478720
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -41.175
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -38.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -537.569306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.569306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.569306 (E_RNA)
where:
Base-Base interactions energy: -360.267
where: short stacking energy: -142.657
Base-Backbone interact. energy: -0.749
local terms energy: -176.553253
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -50.241
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: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -354.263301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.263301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.263301 (E_RNA)
where:
Base-Base interactions energy: -190.176
where: short stacking energy: -100.029
Base-Backbone interact. energy: -1.604
local terms energy: -162.483402
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -34.799
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -24.469
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: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -297.325443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.325443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.325443 (E_RNA)
where:
Base-Base interactions energy: -152.342
where: short stacking energy: -84.506
Base-Backbone interact. energy: -0.605
local terms energy: -144.378847
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -35.386
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -22.590
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: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -196.391123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.391123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.391123 (E_RNA)
where:
Base-Base interactions energy: -58.934
where: short stacking energy: -42.463
Base-Backbone interact. energy: -1.185
local terms energy: -136.272807
where:
bonds (distance) C4'-P energy: -40.424
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: 7.454
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: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -188.659674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.659674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.659674 (E_RNA)
where:
Base-Base interactions energy: -80.689
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.457
local terms energy: -107.514423
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -684.443836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.443836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.443836 (E_RNA)
where:
Base-Base interactions energy: -467.015
where: short stacking energy: -202.835
Base-Backbone interact. energy: -0.101
local terms energy: -217.327822
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -46.433
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: -59.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -658.551863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.551863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.551863 (E_RNA)
where:
Base-Base interactions energy: -435.585
where: short stacking energy: -195.032
Base-Backbone interact. energy: -0.854
local terms energy: -222.112592
where:
bonds (distance) C4'-P energy: -42.617
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: -59.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -610.013234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.013234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.013234 (E_RNA)
where:
Base-Base interactions energy: -401.053
where: short stacking energy: -181.888
Base-Backbone interact. energy: -0.115
local terms energy: -208.845805
where:
bonds (distance) C4'-P energy: -38.911
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -28.443
tors. eta vs tors. theta energy: -51.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -576.627444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.627444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.627444 (E_RNA)
where:
Base-Base interactions energy: -389.267
where: short stacking energy: -160.663
Base-Backbone interact. energy: -0.318
local terms energy: -187.042778
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -45.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -560.401113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.401113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.401113 (E_RNA)
where:
Base-Base interactions energy: -372.084
where: short stacking energy: -165.283
Base-Backbone interact. energy: 0.087
local terms energy: -188.404426
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -47.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -567.684646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.684646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.684646 (E_RNA)
where:
Base-Base interactions energy: -382.984
where: short stacking energy: -159.804
Base-Backbone interact. energy: 0.126
local terms energy: -184.826336
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -34.193
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: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -355.590547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.590547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.590547 (E_RNA)
where:
Base-Base interactions energy: -206.102
where: short stacking energy: -103.401
Base-Backbone interact. energy: -0.408
local terms energy: -149.080924
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -18.050
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: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -292.234518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.234518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.234518 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -80.432
Base-Backbone interact. energy: 0.024
local terms energy: -144.841402
where:
bonds (distance) C4'-P energy: -31.902
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -184.855839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.855839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.855839 (E_RNA)
where:
Base-Base interactions energy: -76.434
where: short stacking energy: -47.673
Base-Backbone interact. energy: 0.113
local terms energy: -108.534646
where:
bonds (distance) C4'-P energy: -38.329
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: 6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -167.012202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.012202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.012202 (E_RNA)
where:
Base-Base interactions energy: -66.532
where: short stacking energy: -47.019
Base-Backbone interact. energy: -1.707
local terms energy: -98.773893
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: 6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -656.916693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.916693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.916693 (E_RNA)
where:
Base-Base interactions energy: -449.096
where: short stacking energy: -196.229
Base-Backbone interact. energy: 0.982
local terms energy: -208.802340
where:
bonds (distance) C4'-P energy: -37.057
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -48.429
flat angles P-C4'-P energy: -30.237
tors. eta vs tors. theta energy: -54.201
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: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -649.889902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.889902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.889902 (E_RNA)
where:
Base-Base interactions energy: -432.930
where: short stacking energy: -201.367
Base-Backbone interact. energy: -1.387
local terms energy: -215.572494
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -36.467
flat angles C4'-P-C4' energy: -45.347
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -68.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -604.111748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.111748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.111748 (E_RNA)
where:
Base-Base interactions energy: -401.046
where: short stacking energy: -174.353
Base-Backbone interact. energy: -0.265
local terms energy: -202.800738
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -39.847
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -25.452
tors. eta vs tors. theta energy: -56.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -598.400466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.400466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.400466 (E_RNA)
where:
Base-Base interactions energy: -395.035
where: short stacking energy: -167.000
Base-Backbone interact. energy: 0.304
local terms energy: -203.669911
where:
bonds (distance) C4'-P energy: -36.909
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -54.208
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: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -590.603690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.603690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.603690 (E_RNA)
where:
Base-Base interactions energy: -397.486
where: short stacking energy: -163.315
Base-Backbone interact. energy: -0.631
local terms energy: -192.486425
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -36.387
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -49.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -539.886603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.886603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.886603 (E_RNA)
where:
Base-Base interactions energy: -371.918
where: short stacking energy: -154.218
Base-Backbone interact. energy: -0.664
local terms energy: -167.305384
where:
bonds (distance) C4'-P energy: -33.592
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -46.309
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: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -336.632104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.632104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.632104 (E_RNA)
where:
Base-Base interactions energy: -190.781
where: short stacking energy: -96.003
Base-Backbone interact. energy: -1.828
local terms energy: -144.023309
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -291.943211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.943211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.943211 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -86.602
Base-Backbone interact. energy: -0.250
local terms energy: -135.927451
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -171.001122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.001122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.001122 (E_RNA)
where:
Base-Base interactions energy: -58.851
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.825
local terms energy: -111.324542
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: 3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -184.823513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.823513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.823513 (E_RNA)
where:
Base-Base interactions energy: -93.562
where: short stacking energy: -40.701
Base-Backbone interact. energy: 1.925
local terms energy: -93.186399
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -666.773129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.773129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.773129 (E_RNA)
where:
Base-Base interactions energy: -444.733
where: short stacking energy: -198.537
Base-Backbone interact. energy: -0.297
local terms energy: -221.742366
where:
bonds (distance) C4'-P energy: -41.115
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -47.591
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -60.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -657.392112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.392112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.392112 (E_RNA)
where:
Base-Base interactions energy: -454.099
where: short stacking energy: -195.266
Base-Backbone interact. energy: 1.051
local terms energy: -204.343777
where:
bonds (distance) C4'-P energy: -37.778
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -62.091
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: 146
Temperature: 1.000000
Total energy: -607.224624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.224624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.224624 (E_RNA)
where:
Base-Base interactions energy: -391.324
where: short stacking energy: -175.055
Base-Backbone interact. energy: -0.547
local terms energy: -215.353662
where:
bonds (distance) C4'-P energy: -38.477
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -45.837
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -56.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -611.768359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.768359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.768359 (E_RNA)
where:
Base-Base interactions energy: -405.229
where: short stacking energy: -174.998
Base-Backbone interact. energy: -1.195
local terms energy: -205.344509
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -38.010
flat angles C4'-P-C4' energy: -39.706
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -61.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -569.958226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.958226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.958226 (E_RNA)
where:
Base-Base interactions energy: -381.393
where: short stacking energy: -162.845
Base-Backbone interact. energy: -0.268
local terms energy: -188.297318
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -37.653
flat angles C4'-P-C4' energy: -41.991
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -50.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -539.567305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.567305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.567305 (E_RNA)
where:
Base-Base interactions energy: -356.015
where: short stacking energy: -158.122
Base-Backbone interact. energy: 1.066
local terms energy: -184.618510
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -39.549
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -345.307452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.307452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.307452 (E_RNA)
where:
Base-Base interactions energy: -196.912
where: short stacking energy: -92.496
Base-Backbone interact. energy: -0.777
local terms energy: -147.618895
where:
bonds (distance) C4'-P energy: -37.487
bonds (distance) P-C4' energy: -32.580
flat angles C4'-P-C4' energy: -42.271
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -301.926418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.926418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.926418 (E_RNA)
where:
Base-Base interactions energy: -168.527
where: short stacking energy: -85.616
Base-Backbone interact. energy: -0.579
local terms energy: -132.820227
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -40.219
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -199.623125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.623125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.623125 (E_RNA)
where:
Base-Base interactions energy: -75.785
where: short stacking energy: -60.739
Base-Backbone interact. energy: 0.700
local terms energy: -124.537978
where:
bonds (distance) C4'-P energy: -40.629
bonds (distance) P-C4' energy: -37.240
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -163.468039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.468039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.468039 (E_RNA)
where:
Base-Base interactions energy: -57.105
where: short stacking energy: -41.106
Base-Backbone interact. energy: 1.203
local terms energy: -107.565828
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -38.105
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: 8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -673.691688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.691688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.691688 (E_RNA)
where:
Base-Base interactions energy: -443.929
where: short stacking energy: -209.375
Base-Backbone interact. energy: -0.297
local terms energy: -229.465135
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -47.175
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -66.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -650.881524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.881524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.881524 (E_RNA)
where:
Base-Base interactions energy: -422.321
where: short stacking energy: -188.209
Base-Backbone interact. energy: -0.307
local terms energy: -228.252662
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -33.903
tors. eta vs tors. theta energy: -65.650
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: 147
Temperature: 1.000000
Total energy: -601.619580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.619580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.619580 (E_RNA)
where:
Base-Base interactions energy: -409.844
where: short stacking energy: -194.131
Base-Backbone interact. energy: -0.030
local terms energy: -191.745096
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: -56.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -587.772035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.772035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.772035 (E_RNA)
where:
Base-Base interactions energy: -395.504
where: short stacking energy: -175.410
Base-Backbone interact. energy: -0.145
local terms energy: -192.123164
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -39.331
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -58.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -557.747895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.747895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.747895 (E_RNA)
where:
Base-Base interactions energy: -364.996
where: short stacking energy: -154.585
Base-Backbone interact. energy: -0.212
local terms energy: -192.539981
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -44.717
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -42.216
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -547.036716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.036716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.036716 (E_RNA)
where:
Base-Base interactions energy: -356.382
where: short stacking energy: -159.509
Base-Backbone interact. energy: 0.485
local terms energy: -191.140011
where:
bonds (distance) C4'-P energy: -32.969
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -368.547805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.547805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.547805 (E_RNA)
where:
Base-Base interactions energy: -207.921
where: short stacking energy: -104.513
Base-Backbone interact. energy: 0.821
local terms energy: -161.448561
where:
bonds (distance) C4'-P energy: -35.981
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -39.633
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -22.138
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: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -284.300771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.300771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.300771 (E_RNA)
where:
Base-Base interactions energy: -161.425
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.682
local terms energy: -122.194345
where:
bonds (distance) C4'-P energy: -39.358
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -238.558749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.558749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.558749 (E_RNA)
where:
Base-Base interactions energy: -117.192
where: short stacking energy: -63.508
Base-Backbone interact. energy: -0.535
local terms energy: -120.832474
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -173.427369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.427369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.427369 (E_RNA)
where:
Base-Base interactions energy: -59.619
where: short stacking energy: -48.659
Base-Backbone interact. energy: -0.588
local terms energy: -113.220123
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: 5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -676.803344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.803344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.803344 (E_RNA)
where:
Base-Base interactions energy: -444.808
where: short stacking energy: -205.856
Base-Backbone interact. energy: -2.535
local terms energy: -229.460021
where:
bonds (distance) C4'-P energy: -35.947
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -48.598
flat angles P-C4'-P energy: -34.930
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -650.541788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.541788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.541788 (E_RNA)
where:
Base-Base interactions energy: -445.191
where: short stacking energy: -198.765
Base-Backbone interact. energy: -0.943
local terms energy: -204.408566
where:
bonds (distance) C4'-P energy: -41.385
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -55.507
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: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -614.125795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.125795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.125795 (E_RNA)
where:
Base-Base interactions energy: -409.270
where: short stacking energy: -188.397
Base-Backbone interact. energy: -0.073
local terms energy: -204.783103
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -42.927
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -57.876
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: 148
Temperature: 1.050000
Total energy: -594.990802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.990802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.990802 (E_RNA)
where:
Base-Base interactions energy: -392.964
where: short stacking energy: -167.052
Base-Backbone interact. energy: -0.238
local terms energy: -201.788671
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -40.967
flat angles P-C4'-P energy: -31.428
tors. eta vs tors. theta energy: -56.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -572.621755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.621755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.621755 (E_RNA)
where:
Base-Base interactions energy: -381.098
where: short stacking energy: -164.073
Base-Backbone interact. energy: -0.681
local terms energy: -190.842100
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -47.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -519.408818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.408818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.408818 (E_RNA)
where:
Base-Base interactions energy: -344.257
where: short stacking energy: -138.274
Base-Backbone interact. energy: -0.159
local terms energy: -174.992965
where:
bonds (distance) C4'-P energy: -34.445
bonds (distance) P-C4' energy: -37.405
flat angles C4'-P-C4' energy: -45.712
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: -34.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -356.896702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.896702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.896702 (E_RNA)
where:
Base-Base interactions energy: -219.017
where: short stacking energy: -96.071
Base-Backbone interact. energy: -1.731
local terms energy: -136.148877
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -301.071191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.071191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.071191 (E_RNA)
where:
Base-Base interactions energy: -151.568
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.348
local terms energy: -149.155523
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -36.685
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -170.822670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.822670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.822670 (E_RNA)
where:
Base-Base interactions energy: -54.673
where: short stacking energy: -37.233
Base-Backbone interact. energy: -0.650
local terms energy: -115.499028
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: 7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -171.488345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.488345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.488345 (E_RNA)
where:
Base-Base interactions energy: -77.629
where: short stacking energy: -50.411
Base-Backbone interact. energy: -1.484
local terms energy: -92.375834
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: 4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -686.437685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.437685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.437685 (E_RNA)
where:
Base-Base interactions energy: -460.927
where: short stacking energy: -207.066
Base-Backbone interact. energy: -0.738
local terms energy: -224.773549
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -41.770
flat angles C4'-P-C4' energy: -47.320
flat angles P-C4'-P energy: -30.344
tors. eta vs tors. theta energy: -65.004
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -631.476746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.476746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.476746 (E_RNA)
where:
Base-Base interactions energy: -416.419
where: short stacking energy: -177.990
Base-Backbone interact. energy: -1.417
local terms energy: -213.641465
where:
bonds (distance) C4'-P energy: -40.070
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -39.707
flat angles P-C4'-P energy: -36.349
tors. eta vs tors. theta energy: -61.264
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: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -636.214185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.214185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.214185 (E_RNA)
where:
Base-Base interactions energy: -431.838
where: short stacking energy: -193.289
Base-Backbone interact. energy: -1.102
local terms energy: -203.274475
where:
bonds (distance) C4'-P energy: -42.311
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -44.775
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -54.378
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -574.079377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.079377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.079377 (E_RNA)
where:
Base-Base interactions energy: -373.988
where: short stacking energy: -160.238
Base-Backbone interact. energy: -0.691
local terms energy: -199.399886
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -41.727
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -31.277
tors. eta vs tors. theta energy: -54.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -552.040293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.040293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.040293 (E_RNA)
where:
Base-Base interactions energy: -348.070
where: short stacking energy: -163.247
Base-Backbone interact. energy: -0.445
local terms energy: -203.524656
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -35.869
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: -51.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -521.406039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.406039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.406039 (E_RNA)
where:
Base-Base interactions energy: -347.221
where: short stacking energy: -149.500
Base-Backbone interact. energy: 0.781
local terms energy: -174.965712
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -42.112
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -42.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -355.579348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.579348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.579348 (E_RNA)
where:
Base-Base interactions energy: -203.948
where: short stacking energy: -99.342
Base-Backbone interact. energy: 0.968
local terms energy: -152.598691
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -35.828
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -283.801347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.801347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.801347 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -80.071
Base-Backbone interact. energy: 1.754
local terms energy: -141.665548
where:
bonds (distance) C4'-P energy: -44.614
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -193.729743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.729743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.729743 (E_RNA)
where:
Base-Base interactions energy: -64.727
where: short stacking energy: -51.956
Base-Backbone interact. energy: 0.078
local terms energy: -129.081540
where:
bonds (distance) C4'-P energy: -38.871
bonds (distance) P-C4' energy: -45.660
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.203
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: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -174.133450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.133450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.133450 (E_RNA)
where:
Base-Base interactions energy: -62.979
where: short stacking energy: -48.303
Base-Backbone interact. energy: 0.418
local terms energy: -111.572284
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -669.285456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.285456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.285456 (E_RNA)
where:
Base-Base interactions energy: -444.300
where: short stacking energy: -207.810
Base-Backbone interact. energy: -1.426
local terms energy: -223.559062
where:
bonds (distance) C4'-P energy: -40.296
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -46.860
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -69.843
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: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -641.585558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.585558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.585558 (E_RNA)
where:
Base-Base interactions energy: -422.041
where: short stacking energy: -210.117
Base-Backbone interact. energy: -1.054
local terms energy: -218.490277
where:
bonds (distance) C4'-P energy: -28.964
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -50.274
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -67.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -637.517865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.517865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.517865 (E_RNA)
where:
Base-Base interactions energy: -434.289
where: short stacking energy: -189.773
Base-Backbone interact. energy: -1.155
local terms energy: -202.073783
where:
bonds (distance) C4'-P energy: -38.618
bonds (distance) P-C4' energy: -41.743
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -34.865
tors. eta vs tors. theta energy: -54.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -562.723109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.723109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.723109 (E_RNA)
where:
Base-Base interactions energy: -375.013
where: short stacking energy: -161.069
Base-Backbone interact. energy: -0.502
local terms energy: -187.208458
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -37.499
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -51.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -555.440594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.440594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.440594 (E_RNA)
where:
Base-Base interactions energy: -357.662
where: short stacking energy: -165.207
Base-Backbone interact. energy: -0.293
local terms energy: -197.485627
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -41.695
flat angles C4'-P-C4' energy: -41.181
flat angles P-C4'-P energy: -27.997
tors. eta vs tors. theta energy: -48.337
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: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -511.729141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.729141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.729141 (E_RNA)
where:
Base-Base interactions energy: -326.909
where: short stacking energy: -133.047
Base-Backbone interact. energy: -0.879
local terms energy: -183.941260
where:
bonds (distance) C4'-P energy: -40.507
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -33.601
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: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -310.583056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.583056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.583056 (E_RNA)
where:
Base-Base interactions energy: -178.894
where: short stacking energy: -88.682
Base-Backbone interact. energy: 0.327
local terms energy: -132.016356
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -36.812
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -15.091
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: 150
Temperature: 1.250000
Total energy: -343.939252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.939252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.939252 (E_RNA)
where:
Base-Base interactions energy: -208.141
where: short stacking energy: -91.237
Base-Backbone interact. energy: -1.071
local terms energy: -134.727129
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -39.076
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -183.019035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.019035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.019035 (E_RNA)
where:
Base-Base interactions energy: -56.293
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.490
local terms energy: -126.235867
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -31.565
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -179.812871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.812871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.812871 (E_RNA)
where:
Base-Base interactions energy: -72.400
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.577
local terms energy: -106.836704
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -33.741
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: 2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -664.954822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.954822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.954822 (E_RNA)
where:
Base-Base interactions energy: -440.976
where: short stacking energy: -193.308
Base-Backbone interact. energy: -0.525
local terms energy: -223.453902
where:
bonds (distance) C4'-P energy: -39.392
bonds (distance) P-C4' energy: -44.259
flat angles C4'-P-C4' energy: -47.516
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -60.350
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: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -634.727797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.727797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.727797 (E_RNA)
where:
Base-Base interactions energy: -419.209
where: short stacking energy: -199.126
Base-Backbone interact. energy: 0.440
local terms energy: -215.958272
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -44.338
flat angles C4'-P-C4' energy: -42.354
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -62.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -619.511287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.511287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.511287 (E_RNA)
where:
Base-Base interactions energy: -406.715
where: short stacking energy: -187.378
Base-Backbone interact. energy: -0.135
local terms energy: -212.661352
where:
bonds (distance) C4'-P energy: -39.755
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -45.692
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -55.085
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: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -581.678817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.678817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.678817 (E_RNA)
where:
Base-Base interactions energy: -368.694
where: short stacking energy: -175.919
Base-Backbone interact. energy: -0.225
local terms energy: -212.759474
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -41.581
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -56.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -555.124299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.124299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.124299 (E_RNA)
where:
Base-Base interactions energy: -380.496
where: short stacking energy: -150.795
Base-Backbone interact. energy: -1.115
local terms energy: -173.513700
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -18.641
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: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -482.063166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.063166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.063166 (E_RNA)
where:
Base-Base interactions energy: -312.080
where: short stacking energy: -140.315
Base-Backbone interact. energy: -0.205
local terms energy: -169.777434
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -37.341
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -37.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -315.498291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.498291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.498291 (E_RNA)
where:
Base-Base interactions energy: -184.289
where: short stacking energy: -68.958
Base-Backbone interact. energy: -0.230
local terms energy: -130.979167
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -34.489
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -20.144
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: 151
Temperature: 1.250000
Total energy: -387.696672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.696672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.696672 (E_RNA)
where:
Base-Base interactions energy: -231.777
where: short stacking energy: -101.804
Base-Backbone interact. energy: 0.559
local terms energy: -156.479127
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -29.290
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: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -196.513349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.513349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.513349 (E_RNA)
where:
Base-Base interactions energy: -54.229
where: short stacking energy: -45.137
Base-Backbone interact. energy: -1.011
local terms energy: -141.273319
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -29.866
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -175.342035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.342035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.342035 (E_RNA)
where:
Base-Base interactions energy: -70.565
where: short stacking energy: -61.746
Base-Backbone interact. energy: 0.364
local terms energy: -105.140859
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -671.535353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.535353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.535353 (E_RNA)
where:
Base-Base interactions energy: -447.119
where: short stacking energy: -200.886
Base-Backbone interact. energy: -2.201
local terms energy: -222.215395
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -41.807
flat angles C4'-P-C4' energy: -44.411
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -60.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -636.626297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.626297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.626297 (E_RNA)
where:
Base-Base interactions energy: -419.005
where: short stacking energy: -193.323
Base-Backbone interact. energy: 0.678
local terms energy: -218.299406
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -62.803
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: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -634.899679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.899679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.899679 (E_RNA)
where:
Base-Base interactions energy: -420.030
where: short stacking energy: -182.833
Base-Backbone interact. energy: -0.513
local terms energy: -214.356802
where:
bonds (distance) C4'-P energy: -42.484
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -30.232
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: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -586.141671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.141671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.141671 (E_RNA)
where:
Base-Base interactions energy: -385.492
where: short stacking energy: -168.584
Base-Backbone interact. energy: -1.426
local terms energy: -199.224286
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -42.007
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -49.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -552.196914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.196914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.196914 (E_RNA)
where:
Base-Base interactions energy: -369.060
where: short stacking energy: -163.746
Base-Backbone interact. energy: -1.182
local terms energy: -181.954932
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -46.564
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: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -472.198919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.198919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.198919 (E_RNA)
where:
Base-Base interactions energy: -288.902
where: short stacking energy: -140.498
Base-Backbone interact. energy: -0.851
local terms energy: -182.446272
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -37.363
flat angles C4'-P-C4' energy: -41.963
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -45.669
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: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -389.202660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.202660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.202660 (E_RNA)
where:
Base-Base interactions energy: -235.541
where: short stacking energy: -118.617
Base-Backbone interact. energy: -0.940
local terms energy: -152.722137
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -314.024299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.024299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.024299 (E_RNA)
where:
Base-Base interactions energy: -170.412
where: short stacking energy: -76.794
Base-Backbone interact. energy: -0.813
local terms energy: -142.799270
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -31.948
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -217.537095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.537095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.537095 (E_RNA)
where:
Base-Base interactions energy: -88.159
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.449
local terms energy: -128.929082
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -41.806
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: 0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -169.217806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.217806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.217806 (E_RNA)
where:
Base-Base interactions energy: -65.708
where: short stacking energy: -42.190
Base-Backbone interact. energy: -1.531
local terms energy: -101.978509
where:
bonds (distance) C4'-P energy: -35.868
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: 11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -660.974069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.974069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.974069 (E_RNA)
where:
Base-Base interactions energy: -445.081
where: short stacking energy: -204.093
Base-Backbone interact. energy: -0.695
local terms energy: -215.198158
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -45.839
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -63.125
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: 153
Temperature: 0.950000
Total energy: -640.857240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.857240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.857240 (E_RNA)
where:
Base-Base interactions energy: -425.696
where: short stacking energy: -196.784
Base-Backbone interact. energy: -0.676
local terms energy: -214.485383
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -45.295
flat angles P-C4'-P energy: -30.564
tors. eta vs tors. theta energy: -61.206
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -650.525162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.525162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.525162 (E_RNA)
where:
Base-Base interactions energy: -447.335
where: short stacking energy: -196.901
Base-Backbone interact. energy: -0.888
local terms energy: -202.302270
where:
bonds (distance) C4'-P energy: -37.856
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -46.665
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -58.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -579.318469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.318469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.318469 (E_RNA)
where:
Base-Base interactions energy: -385.409
where: short stacking energy: -159.068
Base-Backbone interact. energy: -1.082
local terms energy: -192.826978
where:
bonds (distance) C4'-P energy: -33.972
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -50.166
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: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -559.392952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.392952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.392952 (E_RNA)
where:
Base-Base interactions energy: -372.508
where: short stacking energy: -167.213
Base-Backbone interact. energy: -0.124
local terms energy: -186.761524
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -44.557
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -45.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -476.203830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.203830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.203830 (E_RNA)
where:
Base-Base interactions energy: -308.754
where: short stacking energy: -134.676
Base-Backbone interact. energy: -1.107
local terms energy: -166.343202
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -36.899
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -33.463
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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -370.472755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.472755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.472755 (E_RNA)
where:
Base-Base interactions energy: -232.250
where: short stacking energy: -115.950
Base-Backbone interact. energy: -0.614
local terms energy: -137.609148
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -293.587727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.587727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.587727 (E_RNA)
where:
Base-Base interactions energy: -157.029
where: short stacking energy: -91.211
Base-Backbone interact. energy: -0.439
local terms energy: -136.120141
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -37.586
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -25.716
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -222.259107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.259107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.259107 (E_RNA)
where:
Base-Base interactions energy: -99.800
where: short stacking energy: -76.484
Base-Backbone interact. energy: 1.190
local terms energy: -123.648519
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -201.721965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.721965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.721965 (E_RNA)
where:
Base-Base interactions energy: -87.106
where: short stacking energy: -45.559
Base-Backbone interact. energy: -0.399
local terms energy: -114.217164
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -39.852
flat angles C4'-P-C4' energy: -29.678
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: 4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -661.546652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.546652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.546652 (E_RNA)
where:
Base-Base interactions energy: -440.397
where: short stacking energy: -200.100
Base-Backbone interact. energy: -0.386
local terms energy: -220.763218
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -45.983
flat angles C4'-P-C4' energy: -46.785
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: -65.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -639.075646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.075646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.075646 (E_RNA)
where:
Base-Base interactions energy: -429.666
where: short stacking energy: -192.057
Base-Backbone interact. energy: 0.025
local terms energy: -209.434321
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -44.075
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -61.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -615.544688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.544688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.544688 (E_RNA)
where:
Base-Base interactions energy: -399.703
where: short stacking energy: -196.487
Base-Backbone interact. energy: -0.920
local terms energy: -214.921496
where:
bonds (distance) C4'-P energy: -37.657
bonds (distance) P-C4' energy: -43.626
flat angles C4'-P-C4' energy: -43.943
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -59.803
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: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -632.433329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.433329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.433329 (E_RNA)
where:
Base-Base interactions energy: -437.297
where: short stacking energy: -187.358
Base-Backbone interact. energy: 2.246
local terms energy: -197.382724
where:
bonds (distance) C4'-P energy: -38.645
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -43.008
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -56.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -566.089492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.089492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.089492 (E_RNA)
where:
Base-Base interactions energy: -387.027
where: short stacking energy: -165.385
Base-Backbone interact. energy: -0.396
local terms energy: -178.666010
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -487.154437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.154437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.154437 (E_RNA)
where:
Base-Base interactions energy: -329.043
where: short stacking energy: -132.538
Base-Backbone interact. energy: 3.984
local terms energy: -162.095322
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -38.292
flat angles C4'-P-C4' energy: -30.938
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -31.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -315.856076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.856076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.856076 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -86.662
Base-Backbone interact. energy: -2.628
local terms energy: -148.216063
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -347.011519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.011519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.011519 (E_RNA)
where:
Base-Base interactions energy: -184.616
where: short stacking energy: -86.848
Base-Backbone interact. energy: -0.162
local terms energy: -162.234095
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -165.806533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.806533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.806533 (E_RNA)
where:
Base-Base interactions energy: -50.723
where: short stacking energy: -41.909
Base-Backbone interact. energy: -0.981
local terms energy: -114.102933
where:
bonds (distance) C4'-P energy: -40.652
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: 4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -192.187417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.187417 (E_RNA)
where:
Base-Base interactions energy: -69.367
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.024
local terms energy: -122.796768
where:
bonds (distance) C4'-P energy: -35.042
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -676.980631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.980631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.980631 (E_RNA)
where:
Base-Base interactions energy: -446.796
where: short stacking energy: -208.177
Base-Backbone interact. energy: -1.198
local terms energy: -228.986925
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -37.704
flat angles C4'-P-C4' energy: -46.439
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -66.973
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: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -610.487200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.487200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.487200 (E_RNA)
where:
Base-Base interactions energy: -403.086
where: short stacking energy: -187.015
Base-Backbone interact. energy: -1.450
local terms energy: -205.950476
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -39.794
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -56.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -622.973155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.973155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.973155 (E_RNA)
where:
Base-Base interactions energy: -410.712
where: short stacking energy: -173.551
Base-Backbone interact. energy: -0.712
local terms energy: -211.548882
where:
bonds (distance) C4'-P energy: -39.580
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -56.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -619.332951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.332951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.332951 (E_RNA)
where:
Base-Base interactions energy: -421.487
where: short stacking energy: -180.108
Base-Backbone interact. energy: -0.898
local terms energy: -196.948243
where:
bonds (distance) C4'-P energy: -32.855
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -28.240
tors. eta vs tors. theta energy: -53.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -566.690585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.690585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.690585 (E_RNA)
where:
Base-Base interactions energy: -379.030
where: short stacking energy: -159.003
Base-Backbone interact. energy: -0.066
local terms energy: -187.594724
where:
bonds (distance) C4'-P energy: -32.660
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -47.534
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -47.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -482.998723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.998723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.998723 (E_RNA)
where:
Base-Base interactions energy: -323.407
where: short stacking energy: -131.960
Base-Backbone interact. energy: -0.557
local terms energy: -159.035259
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -30.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -315.055495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.055495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.055495 (E_RNA)
where:
Base-Base interactions energy: -177.006
where: short stacking energy: -88.645
Base-Backbone interact. energy: 0.488
local terms energy: -138.537819
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -383.553708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.553708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.553708 (E_RNA)
where:
Base-Base interactions energy: -229.715
where: short stacking energy: -111.476
Base-Backbone interact. energy: -0.332
local terms energy: -153.506521
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -241.428097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.428097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.428097 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -75.011
Base-Backbone interact. energy: 0.128
local terms energy: -111.903006
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -177.580056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.580056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.580056 (E_RNA)
where:
Base-Base interactions energy: -67.186
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.438
local terms energy: -109.956430
where:
bonds (distance) C4'-P energy: -39.135
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -674.266249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.266249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.266249 (E_RNA)
where:
Base-Base interactions energy: -455.544
where: short stacking energy: -201.756
Base-Backbone interact. energy: -0.827
local terms energy: -217.894398
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -65.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -620.410212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.410212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.410212 (E_RNA)
where:
Base-Base interactions energy: -408.748
where: short stacking energy: -182.961
Base-Backbone interact. energy: -0.870
local terms energy: -210.792155
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -42.114
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -58.356
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: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -623.876634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.876634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.876634 (E_RNA)
where:
Base-Base interactions energy: -428.650
where: short stacking energy: -172.960
Base-Backbone interact. energy: 0.249
local terms energy: -195.475004
where:
bonds (distance) C4'-P energy: -41.827
bonds (distance) P-C4' energy: -35.509
flat angles C4'-P-C4' energy: -41.006
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -51.789
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: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -584.503807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.503807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.503807 (E_RNA)
where:
Base-Base interactions energy: -384.455
where: short stacking energy: -172.773
Base-Backbone interact. energy: -0.518
local terms energy: -199.531217
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -43.239
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -58.583
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: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -549.888796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.888796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.888796 (E_RNA)
where:
Base-Base interactions energy: -365.203
where: short stacking energy: -162.905
Base-Backbone interact. energy: -0.065
local terms energy: -184.621182
where:
bonds (distance) C4'-P energy: -30.404
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -39.145
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -47.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -457.957311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.957311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.957311 (E_RNA)
where:
Base-Base interactions energy: -285.048
where: short stacking energy: -140.916
Base-Backbone interact. energy: -0.708
local terms energy: -172.201879
where:
bonds (distance) C4'-P energy: -38.362
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -39.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -363.123020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.123020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.123020 (E_RNA)
where:
Base-Base interactions energy: -209.534
where: short stacking energy: -104.530
Base-Backbone interact. energy: -0.525
local terms energy: -153.064497
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -21.284
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: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -309.817489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.817489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.817489 (E_RNA)
where:
Base-Base interactions energy: -178.039
where: short stacking energy: -100.061
Base-Backbone interact. energy: -2.172
local terms energy: -129.606001
where:
bonds (distance) C4'-P energy: -33.443
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -219.022300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.022300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.022300 (E_RNA)
where:
Base-Base interactions energy: -95.199
where: short stacking energy: -64.442
Base-Backbone interact. energy: 1.460
local terms energy: -125.283435
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -41.781
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -6.369
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: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -175.609306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.609306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.609306 (E_RNA)
where:
Base-Base interactions energy: -63.210
where: short stacking energy: -58.505
Base-Backbone interact. energy: -1.155
local terms energy: -111.244339
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -671.083287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.083287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.083287 (E_RNA)
where:
Base-Base interactions energy: -440.994
where: short stacking energy: -205.006
Base-Backbone interact. energy: -0.349
local terms energy: -229.740931
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -42.242
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -63.655
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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -652.833406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.833406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.833406 (E_RNA)
where:
Base-Base interactions energy: -442.878
where: short stacking energy: -184.037
Base-Backbone interact. energy: -1.162
local terms energy: -208.793719
where:
bonds (distance) C4'-P energy: -36.543
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -45.375
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -60.111
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: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -634.242508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.242508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.242508 (E_RNA)
where:
Base-Base interactions energy: -429.471
where: short stacking energy: -198.715
Base-Backbone interact. energy: -0.853
local terms energy: -203.918046
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -44.903
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -60.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -582.999481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.999481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.999481 (E_RNA)
where:
Base-Base interactions energy: -401.209
where: short stacking energy: -177.500
Base-Backbone interact. energy: -1.075
local terms energy: -180.715142
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -37.013
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -51.707
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: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -594.387913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.387913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.387913 (E_RNA)
where:
Base-Base interactions energy: -410.193
where: short stacking energy: -181.626
Base-Backbone interact. energy: 0.831
local terms energy: -185.026064
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -41.952
flat angles C4'-P-C4' energy: -39.128
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -49.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -455.423677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.423677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.423677 (E_RNA)
where:
Base-Base interactions energy: -293.290
where: short stacking energy: -123.316
Base-Backbone interact. energy: -0.524
local terms energy: -161.609844
where:
bonds (distance) C4'-P energy: -39.086
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -35.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -386.130373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.130373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.130373 (E_RNA)
where:
Base-Base interactions energy: -225.977
where: short stacking energy: -111.343
Base-Backbone interact. energy: 0.325
local terms energy: -160.478301
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -42.404
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -284.605530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.605530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.605530 (E_RNA)
where:
Base-Base interactions energy: -145.380
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.132
local terms energy: -139.093041
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -32.830
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -193.607908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.607908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.607908 (E_RNA)
where:
Base-Base interactions energy: -71.037
where: short stacking energy: -44.360
Base-Backbone interact. energy: 0.383
local terms energy: -122.953904
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -36.684
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -156.418931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.418931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.418931 (E_RNA)
where:
Base-Base interactions energy: -49.066
where: short stacking energy: -41.714
Base-Backbone interact. energy: 0.193
local terms energy: -107.546115
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: 8.889
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: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -673.788154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.788154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.788154 (E_RNA)
where:
Base-Base interactions energy: -465.886
where: short stacking energy: -195.272
Base-Backbone interact. energy: -0.715
local terms energy: -207.187017
where:
bonds (distance) C4'-P energy: -33.874
bonds (distance) P-C4' energy: -41.140
flat angles C4'-P-C4' energy: -44.932
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -56.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -654.555358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.555358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.555358 (E_RNA)
where:
Base-Base interactions energy: -432.578
where: short stacking energy: -206.950
Base-Backbone interact. energy: 0.787
local terms energy: -222.764996
where:
bonds (distance) C4'-P energy: -48.256
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -63.091
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: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -587.825449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.825449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.825449 (E_RNA)
where:
Base-Base interactions energy: -379.491
where: short stacking energy: -175.451
Base-Backbone interact. energy: -0.606
local terms energy: -207.729104
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -45.157
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -48.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -591.964329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.964329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.964329 (E_RNA)
where:
Base-Base interactions energy: -406.936
where: short stacking energy: -163.888
Base-Backbone interact. energy: -0.754
local terms energy: -184.273918
where:
bonds (distance) C4'-P energy: -40.042
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -53.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -569.151414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.151414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.151414 (E_RNA)
where:
Base-Base interactions energy: -388.522
where: short stacking energy: -165.070
Base-Backbone interact. energy: -0.378
local terms energy: -180.251820
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -38.783
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -38.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -499.448131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.448131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.448131 (E_RNA)
where:
Base-Base interactions energy: -318.416
where: short stacking energy: -144.826
Base-Backbone interact. energy: 0.746
local terms energy: -181.777370
where:
bonds (distance) C4'-P energy: -34.391
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -48.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -375.330391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.330391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.330391 (E_RNA)
where:
Base-Base interactions energy: -245.843
where: short stacking energy: -112.773
Base-Backbone interact. energy: -0.161
local terms energy: -129.326438
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -277.167685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.167685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.167685 (E_RNA)
where:
Base-Base interactions energy: -133.779
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.340
local terms energy: -143.049105
where:
bonds (distance) C4'-P energy: -35.871
bonds (distance) P-C4' energy: -41.249
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -6.790
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: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -186.836323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.836323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.836323 (E_RNA)
where:
Base-Base interactions energy: -71.201
where: short stacking energy: -47.676
Base-Backbone interact. energy: 1.973
local terms energy: -117.608403
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: 3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -172.309624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.309624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.309624 (E_RNA)
where:
Base-Base interactions energy: -51.927
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.199
local terms energy: -120.183608
where:
bonds (distance) C4'-P energy: -30.175
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -659.072758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.072758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.072758 (E_RNA)
where:
Base-Base interactions energy: -449.073
where: short stacking energy: -187.899
Base-Backbone interact. energy: -0.207
local terms energy: -209.792781
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -42.170
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -54.500
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: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -642.550800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.550800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.550800 (E_RNA)
where:
Base-Base interactions energy: -431.610
where: short stacking energy: -186.015
Base-Backbone interact. energy: -0.742
local terms energy: -210.199711
where:
bonds (distance) C4'-P energy: -40.807
bonds (distance) P-C4' energy: -41.098
flat angles C4'-P-C4' energy: -42.029
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -58.321
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: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -587.185403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.185403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.185403 (E_RNA)
where:
Base-Base interactions energy: -385.716
where: short stacking energy: -167.208
Base-Backbone interact. energy: -0.588
local terms energy: -200.881304
where:
bonds (distance) C4'-P energy: -41.819
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -39.007
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -48.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -598.671217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.671217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.671217 (E_RNA)
where:
Base-Base interactions energy: -400.101
where: short stacking energy: -168.657
Base-Backbone interact. energy: -0.445
local terms energy: -198.125701
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -53.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -563.905135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.905135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.905135 (E_RNA)
where:
Base-Base interactions energy: -386.911
where: short stacking energy: -162.234
Base-Backbone interact. energy: -0.750
local terms energy: -176.244822
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -46.860
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: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -527.877336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.877336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.877336 (E_RNA)
where:
Base-Base interactions energy: -337.539
where: short stacking energy: -156.546
Base-Backbone interact. energy: -0.995
local terms energy: -189.343438
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -49.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -382.607358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.607358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.607358 (E_RNA)
where:
Base-Base interactions energy: -211.320
where: short stacking energy: -108.845
Base-Backbone interact. energy: 0.391
local terms energy: -171.679096
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -27.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -315.044300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.044300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.044300 (E_RNA)
where:
Base-Base interactions energy: -180.438
where: short stacking energy: -85.125
Base-Backbone interact. energy: -0.739
local terms energy: -133.867755
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -42.274
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -198.034641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.034641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.034641 (E_RNA)
where:
Base-Base interactions energy: -73.583
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.453
local terms energy: -123.998622
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -41.549
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -165.365855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.365855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.365855 (E_RNA)
where:
Base-Base interactions energy: -46.243
where: short stacking energy: -45.531
Base-Backbone interact. energy: 0.615
local terms energy: -119.738139
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -5.406
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: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -673.069275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.069275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.069275 (E_RNA)
where:
Base-Base interactions energy: -462.478
where: short stacking energy: -200.704
Base-Backbone interact. energy: -0.819
local terms energy: -209.772599
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -55.526
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: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -647.870193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.870193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.870193 (E_RNA)
where:
Base-Base interactions energy: -428.758
where: short stacking energy: -192.771
Base-Backbone interact. energy: 1.035
local terms energy: -220.146844
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -45.727
flat angles P-C4'-P energy: -32.265
tors. eta vs tors. theta energy: -57.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -639.942881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.942881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.942881 (E_RNA)
where:
Base-Base interactions energy: -428.265
where: short stacking energy: -179.511
Base-Backbone interact. energy: 0.152
local terms energy: -211.829033
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -42.613
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -59.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -575.921562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.921562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.921562 (E_RNA)
where:
Base-Base interactions energy: -370.123
where: short stacking energy: -164.654
Base-Backbone interact. energy: -0.980
local terms energy: -204.818529
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -29.209
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -569.693090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.693090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.693090 (E_RNA)
where:
Base-Base interactions energy: -374.404
where: short stacking energy: -158.749
Base-Backbone interact. energy: -0.836
local terms energy: -194.452811
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -44.220
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -55.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -504.829436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.829436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.829436 (E_RNA)
where:
Base-Base interactions energy: -340.022
where: short stacking energy: -121.930
Base-Backbone interact. energy: 1.587
local terms energy: -166.394645
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -39.049
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -358.660640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.660640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.660640 (E_RNA)
where:
Base-Base interactions energy: -208.814
where: short stacking energy: -100.697
Base-Backbone interact. energy: 0.697
local terms energy: -150.543924
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -33.726
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -27.645
tors. eta vs tors. theta energy: -21.178
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: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -276.967873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.967873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.967873 (E_RNA)
where:
Base-Base interactions energy: -156.133
where: short stacking energy: -79.325
Base-Backbone interact. energy: -1.079
local terms energy: -119.755892
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -184.902136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.902136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.902136 (E_RNA)
where:
Base-Base interactions energy: -66.049
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.292
local terms energy: -118.561834
where:
bonds (distance) C4'-P energy: -36.247
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -21.451
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: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -167.152305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.152305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.152305 (E_RNA)
where:
Base-Base interactions energy: -50.750
where: short stacking energy: -46.481
Base-Backbone interact. energy: -1.682
local terms energy: -114.720053
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -663.796850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.796850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.796850 (E_RNA)
where:
Base-Base interactions energy: -465.311
where: short stacking energy: -192.268
Base-Backbone interact. energy: -1.977
local terms energy: -196.508449
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -41.755
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: -52.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -664.482518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.482518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.482518 (E_RNA)
where:
Base-Base interactions energy: -439.186
where: short stacking energy: -199.022
Base-Backbone interact. energy: -0.970
local terms energy: -224.326809
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -48.540
flat angles P-C4'-P energy: -26.806
tors. eta vs tors. theta energy: -64.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -610.086218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.086218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.086218 (E_RNA)
where:
Base-Base interactions energy: -404.049
where: short stacking energy: -166.562
Base-Backbone interact. energy: -0.688
local terms energy: -205.349076
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -37.397
flat angles P-C4'-P energy: -30.712
tors. eta vs tors. theta energy: -56.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -570.830539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.830539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.830539 (E_RNA)
where:
Base-Base interactions energy: -379.374
where: short stacking energy: -164.653
Base-Backbone interact. energy: 0.257
local terms energy: -191.714112
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -39.188
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -55.301
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: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -559.030701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.030701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.030701 (E_RNA)
where:
Base-Base interactions energy: -360.476
where: short stacking energy: -165.431
Base-Backbone interact. energy: -0.495
local terms energy: -198.060067
where:
bonds (distance) C4'-P energy: -35.285
bonds (distance) P-C4' energy: -40.635
flat angles C4'-P-C4' energy: -39.383
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: -53.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -527.973368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.973368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.973368 (E_RNA)
where:
Base-Base interactions energy: -356.068
where: short stacking energy: -135.916
Base-Backbone interact. energy: -0.902
local terms energy: -171.003470
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -40.627
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -37.815
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: 161
Temperature: 1.200000
Total energy: -369.483961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.483961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.483961 (E_RNA)
where:
Base-Base interactions energy: -212.329
where: short stacking energy: -104.197
Base-Backbone interact. energy: 0.245
local terms energy: -157.399529
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -43.706
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -289.504742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.504742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.504742 (E_RNA)
where:
Base-Base interactions energy: -156.821
where: short stacking energy: -85.590
Base-Backbone interact. energy: 2.120
local terms energy: -134.803778
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -35.940
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -182.132302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.132302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.132302 (E_RNA)
where:
Base-Base interactions energy: -60.532
where: short stacking energy: -43.712
Base-Backbone interact. energy: -0.736
local terms energy: -120.864211
where:
bonds (distance) C4'-P energy: -33.329
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: 3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -166.304384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.304384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.304384 (E_RNA)
where:
Base-Base interactions energy: -44.829
where: short stacking energy: -33.434
Base-Backbone interact. energy: -1.513
local terms energy: -119.962630
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: 5.042
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: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -668.832804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.832804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.832804 (E_RNA)
where:
Base-Base interactions energy: -459.414
where: short stacking energy: -204.984
Base-Backbone interact. energy: 0.160
local terms energy: -209.578609
where:
bonds (distance) C4'-P energy: -42.150
bonds (distance) P-C4' energy: -32.253
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -65.221
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: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -655.397038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.397038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.397038 (E_RNA)
where:
Base-Base interactions energy: -445.530
where: short stacking energy: -191.688
Base-Backbone interact. energy: -0.531
local terms energy: -209.336058
where:
bonds (distance) C4'-P energy: -42.814
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -29.136
tors. eta vs tors. theta energy: -58.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -633.891161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.891161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.891161 (E_RNA)
where:
Base-Base interactions energy: -413.279
where: short stacking energy: -182.285
Base-Backbone interact. energy: -0.739
local terms energy: -219.873622
where:
bonds (distance) C4'-P energy: -38.083
bonds (distance) P-C4' energy: -43.995
flat angles C4'-P-C4' energy: -48.291
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -58.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -576.561680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.561680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.561680 (E_RNA)
where:
Base-Base interactions energy: -380.423
where: short stacking energy: -160.351
Base-Backbone interact. energy: -0.214
local terms energy: -195.924454
where:
bonds (distance) C4'-P energy: -46.872
bonds (distance) P-C4' energy: -36.954
flat angles C4'-P-C4' energy: -33.213
flat angles P-C4'-P energy: -25.815
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -555.780196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.780196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.780196 (E_RNA)
where:
Base-Base interactions energy: -364.404
where: short stacking energy: -158.941
Base-Backbone interact. energy: 0.393
local terms energy: -191.768565
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -43.701
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -47.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -510.314924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.314924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.314924 (E_RNA)
where:
Base-Base interactions energy: -320.022
where: short stacking energy: -150.286
Base-Backbone interact. energy: 2.793
local terms energy: -193.086599
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -36.964
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -47.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -339.676591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.676591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.676591 (E_RNA)
where:
Base-Base interactions energy: -213.168
where: short stacking energy: -105.025
Base-Backbone interact. energy: -0.711
local terms energy: -125.798166
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -322.209270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.209270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.209270 (E_RNA)
where:
Base-Base interactions energy: -169.451
where: short stacking energy: -79.373
Base-Backbone interact. energy: 1.914
local terms energy: -154.671902
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -175.343992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.343992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.343992 (E_RNA)
where:
Base-Base interactions energy: -63.116
where: short stacking energy: -61.728
Base-Backbone interact. energy: 0.432
local terms energy: -112.659883
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -32.428
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: 7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -168.147697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.147697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.147697 (E_RNA)
where:
Base-Base interactions energy: -48.835
where: short stacking energy: -32.494
Base-Backbone interact. energy: 1.002
local terms energy: -120.315087
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: 8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -663.049728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.049728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.049728 (E_RNA)
where:
Base-Base interactions energy: -439.261
where: short stacking energy: -200.177
Base-Backbone interact. energy: -0.285
local terms energy: -223.503626
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -43.521
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -66.036
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: 163
Temperature: 0.950000
Total energy: -634.193042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.193042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.193042 (E_RNA)
where:
Base-Base interactions energy: -422.055
where: short stacking energy: -185.419
Base-Backbone interact. energy: -1.938
local terms energy: -210.200143
where:
bonds (distance) C4'-P energy: -40.158
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -41.129
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -61.160
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: 163
Temperature: 1.000000
Total energy: -621.601557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.601557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.601557 (E_RNA)
where:
Base-Base interactions energy: -424.526
where: short stacking energy: -192.778
Base-Backbone interact. energy: -0.573
local terms energy: -196.502043
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -58.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -577.969085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.969085 (E_RNA)
where:
Base-Base interactions energy: -385.500
where: short stacking energy: -180.460
Base-Backbone interact. energy: -0.080
local terms energy: -192.388257
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -41.799
flat angles P-C4'-P energy: -25.682
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: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -560.589821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.589821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.589821 (E_RNA)
where:
Base-Base interactions energy: -370.916
where: short stacking energy: -151.074
Base-Backbone interact. energy: -1.309
local terms energy: -188.365201
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -39.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -483.085884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.085884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.085884 (E_RNA)
where:
Base-Base interactions energy: -309.067
where: short stacking energy: -147.965
Base-Backbone interact. energy: 0.984
local terms energy: -175.002846
where:
bonds (distance) C4'-P energy: -34.457
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -29.654
tors. eta vs tors. theta energy: -39.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -366.342645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.342645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.342645 (E_RNA)
where:
Base-Base interactions energy: -213.117
where: short stacking energy: -95.807
Base-Backbone interact. energy: 0.335
local terms energy: -153.560469
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -19.954
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: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -271.247960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.247960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.247960 (E_RNA)
where:
Base-Base interactions energy: -152.752
where: short stacking energy: -76.456
Base-Backbone interact. energy: -0.776
local terms energy: -117.720379
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -3.089
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: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -183.472579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.472579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.472579 (E_RNA)
where:
Base-Base interactions energy: -74.069
where: short stacking energy: -50.603
Base-Backbone interact. energy: 2.784
local terms energy: -112.187604
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -22.844
tors. eta vs tors. theta energy: 4.103
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: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -176.331127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.331127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.331127 (E_RNA)
where:
Base-Base interactions energy: -57.988
where: short stacking energy: -52.889
Base-Backbone interact. energy: -0.321
local terms energy: -118.021927
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -40.198
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: 5.819
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: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -650.957684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.957684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.957684 (E_RNA)
where:
Base-Base interactions energy: -422.773
where: short stacking energy: -199.035
Base-Backbone interact. energy: -0.264
local terms energy: -227.921065
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -41.112
flat angles C4'-P-C4' energy: -45.772
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -62.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -667.847819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.847819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.847819 (E_RNA)
where:
Base-Base interactions energy: -448.056
where: short stacking energy: -208.324
Base-Backbone interact. energy: -0.848
local terms energy: -218.943017
where:
bonds (distance) C4'-P energy: -39.002
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -41.827
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -63.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -568.435170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.435170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.435170 (E_RNA)
where:
Base-Base interactions energy: -371.197
where: short stacking energy: -164.528
Base-Backbone interact. energy: -1.030
local terms energy: -196.207720
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -46.685
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -39.918
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: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -617.235541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.235541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.235541 (E_RNA)
where:
Base-Base interactions energy: -413.157
where: short stacking energy: -188.284
Base-Backbone interact. energy: -0.372
local terms energy: -203.706690
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -45.929
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -55.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -547.743248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.743248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.743248 (E_RNA)
where:
Base-Base interactions energy: -365.247
where: short stacking energy: -157.234
Base-Backbone interact. energy: -0.245
local terms energy: -182.251489
where:
bonds (distance) C4'-P energy: -34.100
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -39.665
flat angles P-C4'-P energy: -20.961
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: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -471.206272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.206272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.206272 (E_RNA)
where:
Base-Base interactions energy: -295.715
where: short stacking energy: -135.687
Base-Backbone interact. energy: 0.068
local terms energy: -175.558904
where:
bonds (distance) C4'-P energy: -38.804
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -40.502
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -426.307841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.307841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.307841 (E_RNA)
where:
Base-Base interactions energy: -275.151
where: short stacking energy: -108.366
Base-Backbone interact. energy: 2.857
local terms energy: -154.013868
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -29.717
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: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -289.787247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.787247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.787247 (E_RNA)
where:
Base-Base interactions energy: -155.103
where: short stacking energy: -82.374
Base-Backbone interact. energy: -0.173
local terms energy: -134.510578
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -42.675
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -178.517195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.517195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.517195 (E_RNA)
where:
Base-Base interactions energy: -66.689
where: short stacking energy: -52.242
Base-Backbone interact. energy: 3.429
local terms energy: -115.257907
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -175.693798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.693798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.693798 (E_RNA)
where:
Base-Base interactions energy: -70.790
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.228
local terms energy: -104.676017
where:
bonds (distance) C4'-P energy: -39.566
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: 6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -652.450876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.450876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.450876 (E_RNA)
where:
Base-Base interactions energy: -434.877
where: short stacking energy: -193.082
Base-Backbone interact. energy: -2.535
local terms energy: -215.038697
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -44.823
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -63.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -656.431017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.431017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.431017 (E_RNA)
where:
Base-Base interactions energy: -434.633
where: short stacking energy: -202.131
Base-Backbone interact. energy: -0.899
local terms energy: -220.899511
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -68.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -584.307816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.307816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.307816 (E_RNA)
where:
Base-Base interactions energy: -387.788
where: short stacking energy: -174.287
Base-Backbone interact. energy: -0.775
local terms energy: -195.744532
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -36.352
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -53.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -581.423803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.423803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.423803 (E_RNA)
where:
Base-Base interactions energy: -388.061
where: short stacking energy: -164.507
Base-Backbone interact. energy: -0.235
local terms energy: -193.127874
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -32.936
flat angles C4'-P-C4' energy: -42.922
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -54.622
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: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -562.734050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.734050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.734050 (E_RNA)
where:
Base-Base interactions energy: -372.574
where: short stacking energy: -179.682
Base-Backbone interact. energy: -0.048
local terms energy: -190.111427
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -53.429
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -522.535021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.535021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.535021 (E_RNA)
where:
Base-Base interactions energy: -345.540
where: short stacking energy: -147.929
Base-Backbone interact. energy: -1.506
local terms energy: -175.488778
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -43.561
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: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -347.097112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.097112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.097112 (E_RNA)
where:
Base-Base interactions energy: -195.713
where: short stacking energy: -106.314
Base-Backbone interact. energy: -1.825
local terms energy: -149.559612
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -289.122885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.122885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.122885 (E_RNA)
where:
Base-Base interactions energy: -153.374
where: short stacking energy: -87.184
Base-Backbone interact. energy: 2.038
local terms energy: -137.786921
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -23.062
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: 165
Temperature: 1.300000
Total energy: -190.349388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.349388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.349388 (E_RNA)
where:
Base-Base interactions energy: -83.795
where: short stacking energy: -48.064
Base-Backbone interact. energy: -1.114
local terms energy: -105.440263
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: 6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -185.601129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.601129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.601129 (E_RNA)
where:
Base-Base interactions energy: -68.196
where: short stacking energy: -52.733
Base-Backbone interact. energy: 0.983
local terms energy: -118.388561
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -46.314
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -656.332189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.332189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.332189 (E_RNA)
where:
Base-Base interactions energy: -439.042
where: short stacking energy: -195.272
Base-Backbone interact. energy: -0.588
local terms energy: -216.703146
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -41.050
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -64.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -652.518621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.518621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.518621 (E_RNA)
where:
Base-Base interactions energy: -434.312
where: short stacking energy: -202.056
Base-Backbone interact. energy: -0.373
local terms energy: -217.833167
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -60.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -629.900621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.900621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.900621 (E_RNA)
where:
Base-Base interactions energy: -419.621
where: short stacking energy: -191.147
Base-Backbone interact. energy: -0.135
local terms energy: -210.144251
where:
bonds (distance) C4'-P energy: -39.272
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -44.100
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -61.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -578.934157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.934157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.934157 (E_RNA)
where:
Base-Base interactions energy: -378.309
where: short stacking energy: -172.124
Base-Backbone interact. energy: -0.655
local terms energy: -199.969662
where:
bonds (distance) C4'-P energy: -38.719
bonds (distance) P-C4' energy: -41.505
flat angles C4'-P-C4' energy: -41.462
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -47.916
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -549.138561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.138561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.138561 (E_RNA)
where:
Base-Base interactions energy: -357.095
where: short stacking energy: -151.229
Base-Backbone interact. energy: 0.199
local terms energy: -192.241818
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -36.724
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -47.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -541.016983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.016983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.016983 (E_RNA)
where:
Base-Base interactions energy: -353.059
where: short stacking energy: -155.403
Base-Backbone interact. energy: -0.823
local terms energy: -187.134777
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -44.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -306.783648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.783648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.783648 (E_RNA)
where:
Base-Base interactions energy: -159.183
where: short stacking energy: -81.782
Base-Backbone interact. energy: -0.422
local terms energy: -147.178887
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -311.314857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.314857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.314857 (E_RNA)
where:
Base-Base interactions energy: -182.000
where: short stacking energy: -99.190
Base-Backbone interact. energy: -0.505
local terms energy: -128.809258
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -18.367
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -172.962028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.962028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.962028 (E_RNA)
where:
Base-Base interactions energy: -61.772
where: short stacking energy: -33.539
Base-Backbone interact. energy: 3.563
local terms energy: -114.753218
where:
bonds (distance) C4'-P energy: -36.004
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -16.327
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: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -182.363633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.363633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.363633 (E_RNA)
where:
Base-Base interactions energy: -56.760
where: short stacking energy: -41.952
Base-Backbone interact. energy: -1.013
local terms energy: -124.590724
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -659.909192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.909192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.909192 (E_RNA)
where:
Base-Base interactions energy: -442.688
where: short stacking energy: -198.991
Base-Backbone interact. energy: -0.679
local terms energy: -216.542264
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -45.407
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -66.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -646.039538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.039538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.039538 (E_RNA)
where:
Base-Base interactions energy: -453.565
where: short stacking energy: -197.564
Base-Backbone interact. energy: -0.713
local terms energy: -191.762094
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -41.793
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -57.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -616.057738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.057738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.057738 (E_RNA)
where:
Base-Base interactions energy: -393.734
where: short stacking energy: -174.482
Base-Backbone interact. energy: -0.014
local terms energy: -222.309309
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -40.773
flat angles C4'-P-C4' energy: -48.261
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -61.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -556.737943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.737943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.737943 (E_RNA)
where:
Base-Base interactions energy: -361.725
where: short stacking energy: -160.467
Base-Backbone interact. energy: -0.266
local terms energy: -194.746219
where:
bonds (distance) C4'-P energy: -38.679
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -40.731
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -51.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -543.381956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.381956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.381956 (E_RNA)
where:
Base-Base interactions energy: -372.627
where: short stacking energy: -166.015
Base-Backbone interact. energy: -0.125
local terms energy: -170.629449
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -50.041
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: 167
Temperature: 1.150000
Total energy: -563.004351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.004351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.004351 (E_RNA)
where:
Base-Base interactions energy: -378.982
where: short stacking energy: -162.486
Base-Backbone interact. energy: -0.162
local terms energy: -183.860113
where:
bonds (distance) C4'-P energy: -33.733
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -35.363
flat angles P-C4'-P energy: -30.525
tors. eta vs tors. theta energy: -48.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -315.243257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.243257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.243257 (E_RNA)
where:
Base-Base interactions energy: -161.149
where: short stacking energy: -98.219
Base-Backbone interact. energy: -1.213
local terms energy: -152.880571
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -324.949666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.949666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.949666 (E_RNA)
where:
Base-Base interactions energy: -193.522
where: short stacking energy: -82.535
Base-Backbone interact. energy: -0.022
local terms energy: -131.406170
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -196.100590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.100590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.100590 (E_RNA)
where:
Base-Base interactions energy: -81.738
where: short stacking energy: -48.670
Base-Backbone interact. energy: -0.507
local terms energy: -113.855778
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: 6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -175.781460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.781460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.781460 (E_RNA)
where:
Base-Base interactions energy: -71.665
where: short stacking energy: -50.951
Base-Backbone interact. energy: -0.258
local terms energy: -103.858749
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: 3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -669.951309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.951309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.951309 (E_RNA)
where:
Base-Base interactions energy: -447.157
where: short stacking energy: -199.434
Base-Backbone interact. energy: -1.186
local terms energy: -221.609134
where:
bonds (distance) C4'-P energy: -40.056
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -50.872
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -56.125
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: 168
Temperature: 0.950000
Total energy: -646.624172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.624172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.624172 (E_RNA)
where:
Base-Base interactions energy: -433.972
where: short stacking energy: -196.554
Base-Backbone interact. energy: -0.388
local terms energy: -212.264227
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -46.245
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: -63.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -609.703145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.703145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.703145 (E_RNA)
where:
Base-Base interactions energy: -405.347
where: short stacking energy: -180.221
Base-Backbone interact. energy: -0.285
local terms energy: -204.072038
where:
bonds (distance) C4'-P energy: -43.388
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -39.859
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -60.716
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: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -548.577773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.577773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.577773 (E_RNA)
where:
Base-Base interactions energy: -352.121
where: short stacking energy: -149.975
Base-Backbone interact. energy: -0.418
local terms energy: -196.039165
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -51.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -567.207879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.207879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.207879 (E_RNA)
where:
Base-Base interactions energy: -371.957
where: short stacking energy: -168.333
Base-Backbone interact. energy: 0.168
local terms energy: -195.418829
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -44.422
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -52.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -538.251141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.251141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.251141 (E_RNA)
where:
Base-Base interactions energy: -354.374
where: short stacking energy: -161.156
Base-Backbone interact. energy: -0.760
local terms energy: -183.116475
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -41.424
flat angles C4'-P-C4' energy: -42.035
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -297.811595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.811595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.811595 (E_RNA)
where:
Base-Base interactions energy: -154.085
where: short stacking energy: -81.020
Base-Backbone interact. energy: 0.255
local terms energy: -143.981455
where:
bonds (distance) C4'-P energy: -31.908
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -34.062
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -288.844704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.844704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.844704 (E_RNA)
where:
Base-Base interactions energy: -178.570
where: short stacking energy: -70.918
Base-Backbone interact. energy: 0.066
local terms energy: -110.340891
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -198.223784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.223784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.223784 (E_RNA)
where:
Base-Base interactions energy: -72.651
where: short stacking energy: -54.361
Base-Backbone interact. energy: -2.512
local terms energy: -123.060310
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -168.523161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.523161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.523161 (E_RNA)
where:
Base-Base interactions energy: -48.714
where: short stacking energy: -41.839
Base-Backbone interact. energy: -0.240
local terms energy: -119.569203
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: 6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -657.702304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.702304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.702304 (E_RNA)
where:
Base-Base interactions energy: -441.202
where: short stacking energy: -198.458
Base-Backbone interact. energy: -1.513
local terms energy: -214.987408
where:
bonds (distance) C4'-P energy: -42.941
bonds (distance) P-C4' energy: -44.971
flat angles C4'-P-C4' energy: -38.951
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -60.190
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: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -634.805167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.805167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.805167 (E_RNA)
where:
Base-Base interactions energy: -425.295
where: short stacking energy: -196.683
Base-Backbone interact. energy: -0.170
local terms energy: -209.339531
where:
bonds (distance) C4'-P energy: -38.563
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -44.486
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -64.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -621.055203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.055203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.055203 (E_RNA)
where:
Base-Base interactions energy: -406.864
where: short stacking energy: -177.329
Base-Backbone interact. energy: -0.519
local terms energy: -213.672203
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -59.945
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: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -598.195242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.195242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.195242 (E_RNA)
where:
Base-Base interactions energy: -391.209
where: short stacking energy: -184.370
Base-Backbone interact. energy: -0.791
local terms energy: -206.195077
where:
bonds (distance) C4'-P energy: -38.448
bonds (distance) P-C4' energy: -36.465
flat angles C4'-P-C4' energy: -36.826
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -62.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -535.187509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.187509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.187509 (E_RNA)
where:
Base-Base interactions energy: -347.421
where: short stacking energy: -145.011
Base-Backbone interact. energy: -2.693
local terms energy: -185.073588
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -41.259
flat angles P-C4'-P energy: -25.144
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -546.159498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.159498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.159498 (E_RNA)
where:
Base-Base interactions energy: -356.376
where: short stacking energy: -151.743
Base-Backbone interact. energy: -3.025
local terms energy: -186.758554
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -46.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -294.589968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.589968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.589968 (E_RNA)
where:
Base-Base interactions energy: -160.737
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.471
local terms energy: -133.382363
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -319.157698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.157698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.157698 (E_RNA)
where:
Base-Base interactions energy: -188.910
where: short stacking energy: -96.333
Base-Backbone interact. energy: -0.486
local terms energy: -129.760976
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -16.481
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: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -193.640821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.640821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.640821 (E_RNA)
where:
Base-Base interactions energy: -82.198
where: short stacking energy: -67.830
Base-Backbone interact. energy: -0.173
local terms energy: -111.268991
where:
bonds (distance) C4'-P energy: -32.889
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -170.633014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.633014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.633014 (E_RNA)
where:
Base-Base interactions energy: -61.329
where: short stacking energy: -51.730
Base-Backbone interact. energy: -1.382
local terms energy: -107.921856
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -35.522
flat angles C4'-P-C4' energy: -31.654
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -659.440963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.440963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.440963 (E_RNA)
where:
Base-Base interactions energy: -434.293
where: short stacking energy: -186.568
Base-Backbone interact. energy: -0.322
local terms energy: -224.825944
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -38.675
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -60.031
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -651.943971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.943971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.943971 (E_RNA)
where:
Base-Base interactions energy: -438.610
where: short stacking energy: -187.988
Base-Backbone interact. energy: -0.224
local terms energy: -213.110271
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -47.745
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -62.103
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: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -601.317902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.317902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.317902 (E_RNA)
where:
Base-Base interactions energy: -393.490
where: short stacking energy: -180.752
Base-Backbone interact. energy: -1.426
local terms energy: -206.401836
where:
bonds (distance) C4'-P energy: -32.018
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -29.375
tors. eta vs tors. theta energy: -59.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -575.816119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.816119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.816119 (E_RNA)
where:
Base-Base interactions energy: -377.513
where: short stacking energy: -175.988
Base-Backbone interact. energy: 0.349
local terms energy: -198.651980
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -43.448
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -49.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -559.155369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.155369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.155369 (E_RNA)
where:
Base-Base interactions energy: -371.407
where: short stacking energy: -158.661
Base-Backbone interact. energy: -1.955
local terms energy: -185.793427
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -40.534
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -51.697
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: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -523.319145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.319145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.319145 (E_RNA)
where:
Base-Base interactions energy: -349.779
where: short stacking energy: -148.426
Base-Backbone interact. energy: -0.360
local terms energy: -173.180011
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -39.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -351.583108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.583108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.583108 (E_RNA)
where:
Base-Base interactions energy: -203.813
where: short stacking energy: -99.260
Base-Backbone interact. energy: 0.411
local terms energy: -148.180553
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -35.139
flat angles C4'-P-C4' energy: -41.196
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -300.032755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.032755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.032755 (E_RNA)
where:
Base-Base interactions energy: -150.398
where: short stacking energy: -89.941
Base-Backbone interact. energy: -0.560
local terms energy: -149.074470
where:
bonds (distance) C4'-P energy: -34.652
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -24.116
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: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -174.131840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.131840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.131840 (E_RNA)
where:
Base-Base interactions energy: -56.521
where: short stacking energy: -35.463
Base-Backbone interact. energy: 0.020
local terms energy: -117.631011
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -42.037
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: 2.750
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: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -172.344027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.344027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.344027 (E_RNA)
where:
Base-Base interactions energy: -55.603
where: short stacking energy: -40.104
Base-Backbone interact. energy: 1.457
local terms energy: -118.197334
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -39.409
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: 5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -669.850969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.850969 (E_RNA)
where:
Base-Base interactions energy: -438.125
where: short stacking energy: -198.616
Base-Backbone interact. energy: -0.320
local terms energy: -231.405680
where:
bonds (distance) C4'-P energy: -44.099
bonds (distance) P-C4' energy: -42.386
flat angles C4'-P-C4' energy: -46.465
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: -61.959
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: 171
Temperature: 0.950000
Total energy: -611.844688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.844688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.844688 (E_RNA)
where:
Base-Base interactions energy: -410.893
where: short stacking energy: -169.019
Base-Backbone interact. energy: -0.887
local terms energy: -200.064592
where:
bonds (distance) C4'-P energy: -34.274
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -55.818
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: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -645.009553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.009553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.009553 (E_RNA)
where:
Base-Base interactions energy: -432.994
where: short stacking energy: -188.863
Base-Backbone interact. energy: -1.733
local terms energy: -210.282625
where:
bonds (distance) C4'-P energy: -42.412
bonds (distance) P-C4' energy: -32.613
flat angles C4'-P-C4' energy: -44.001
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: -57.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -559.852843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.852843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.852843 (E_RNA)
where:
Base-Base interactions energy: -371.362
where: short stacking energy: -155.962
Base-Backbone interact. energy: -0.194
local terms energy: -188.296149
where:
bonds (distance) C4'-P energy: -38.089
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -47.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -561.460753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.460753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.460753 (E_RNA)
where:
Base-Base interactions energy: -371.088
where: short stacking energy: -174.643
Base-Backbone interact. energy: -0.298
local terms energy: -190.074695
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -48.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -542.923366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.923366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.923366 (E_RNA)
where:
Base-Base interactions energy: -357.310
where: short stacking energy: -157.373
Base-Backbone interact. energy: -0.715
local terms energy: -184.898135
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -38.748
flat angles P-C4'-P energy: -25.524
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: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -355.698743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.698743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.698743 (E_RNA)
where:
Base-Base interactions energy: -215.034
where: short stacking energy: -87.979
Base-Backbone interact. energy: -0.884
local terms energy: -139.780766
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -34.558
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -15.155
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: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -283.873396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.873396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.873396 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -97.702
Base-Backbone interact. energy: 1.112
local terms energy: -137.027241
where:
bonds (distance) C4'-P energy: -35.106
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -36.804
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -194.751755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.751755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.751755 (E_RNA)
where:
Base-Base interactions energy: -75.901
where: short stacking energy: -50.717
Base-Backbone interact. energy: -0.413
local terms energy: -118.437256
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -179.660641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.660641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.660641 (E_RNA)
where:
Base-Base interactions energy: -70.659
where: short stacking energy: -53.335
Base-Backbone interact. energy: 0.856
local terms energy: -109.856713
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: 7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -650.361381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.361381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.361381 (E_RNA)
where:
Base-Base interactions energy: -430.841
where: short stacking energy: -184.575
Base-Backbone interact. energy: -0.516
local terms energy: -219.004525
where:
bonds (distance) C4'-P energy: -42.687
bonds (distance) P-C4' energy: -41.842
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -55.485
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: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -609.840357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.840357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.840357 (E_RNA)
where:
Base-Base interactions energy: -414.014
where: short stacking energy: -179.570
Base-Backbone interact. energy: -0.053
local terms energy: -195.773568
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -40.309
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -50.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -631.257644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.257644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.257644 (E_RNA)
where:
Base-Base interactions energy: -440.160
where: short stacking energy: -183.368
Base-Backbone interact. energy: 2.447
local terms energy: -193.544385
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -33.902
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -55.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -566.351667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.351667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.351667 (E_RNA)
where:
Base-Base interactions energy: -374.871
where: short stacking energy: -153.660
Base-Backbone interact. energy: -1.172
local terms energy: -190.308203
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -38.161
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -54.778
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -556.764288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.764288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.764288 (E_RNA)
where:
Base-Base interactions energy: -380.808
where: short stacking energy: -176.745
Base-Backbone interact. energy: -0.075
local terms energy: -175.880588
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -51.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -528.237323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.237323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.237323 (E_RNA)
where:
Base-Base interactions energy: -354.197
where: short stacking energy: -167.834
Base-Backbone interact. energy: -0.309
local terms energy: -173.731512
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -42.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -323.179485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.179485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.179485 (E_RNA)
where:
Base-Base interactions energy: -198.956
where: short stacking energy: -93.672
Base-Backbone interact. energy: -1.247
local terms energy: -122.976271
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -320.701717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.701717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.701717 (E_RNA)
where:
Base-Base interactions energy: -187.917
where: short stacking energy: -106.793
Base-Backbone interact. energy: -1.353
local terms energy: -131.431018
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -27.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -194.112400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.112400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.112400 (E_RNA)
where:
Base-Base interactions energy: -74.383
where: short stacking energy: -42.762
Base-Backbone interact. energy: -2.461
local terms energy: -117.269231
where:
bonds (distance) C4'-P energy: -37.153
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: 5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -172.237552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.237552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.237552 (E_RNA)
where:
Base-Base interactions energy: -53.258
where: short stacking energy: -45.233
Base-Backbone interact. energy: -1.088
local terms energy: -117.891036
where:
bonds (distance) C4'-P energy: -35.327
bonds (distance) P-C4' energy: -41.194
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: 3.578
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: 173
Temperature: 0.900000
Total energy: -660.823748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.823748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.823748 (E_RNA)
where:
Base-Base interactions energy: -444.410
where: short stacking energy: -188.987
Base-Backbone interact. energy: -0.529
local terms energy: -215.884639
where:
bonds (distance) C4'-P energy: -45.836
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -40.996
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -55.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -665.159057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.159057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.159057 (E_RNA)
where:
Base-Base interactions energy: -449.490
where: short stacking energy: -204.553
Base-Backbone interact. energy: -0.205
local terms energy: -215.464734
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -38.555
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -63.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -602.439876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.439876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.439876 (E_RNA)
where:
Base-Base interactions energy: -396.737
where: short stacking energy: -170.947
Base-Backbone interact. energy: -0.333
local terms energy: -205.369580
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -42.210
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -52.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -564.136969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.136969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.136969 (E_RNA)
where:
Base-Base interactions energy: -370.192
where: short stacking energy: -172.988
Base-Backbone interact. energy: -0.199
local terms energy: -193.745547
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -38.402
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -52.494
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: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -542.826719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.826719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.826719 (E_RNA)
where:
Base-Base interactions energy: -369.224
where: short stacking energy: -146.004
Base-Backbone interact. energy: -0.501
local terms energy: -173.101848
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -41.962
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -34.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -533.966901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.966901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.966901 (E_RNA)
where:
Base-Base interactions energy: -350.637
where: short stacking energy: -169.587
Base-Backbone interact. energy: -0.286
local terms energy: -183.043983
where:
bonds (distance) C4'-P energy: -30.092
bonds (distance) P-C4' energy: -34.933
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -29.305
tors. eta vs tors. theta energy: -51.209
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -341.459566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.459566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.459566 (E_RNA)
where:
Base-Base interactions energy: -188.734
where: short stacking energy: -105.502
Base-Backbone interact. energy: -1.141
local terms energy: -151.584132
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -416.470851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.470851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.470851 (E_RNA)
where:
Base-Base interactions energy: -257.883
where: short stacking energy: -111.470
Base-Backbone interact. energy: -0.047
local terms energy: -158.540982
where:
bonds (distance) C4'-P energy: -34.575
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -43.534
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -15.886
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: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -175.161713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161713 (E_RNA)
where:
Base-Base interactions energy: -61.746
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.329
local terms energy: -113.086857
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -39.906
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: 7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -163.658246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.658246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.658246 (E_RNA)
where:
Base-Base interactions energy: -55.856
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.486
local terms energy: -107.315511
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: 16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -657.900487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.900487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.900487 (E_RNA)
where:
Base-Base interactions energy: -452.953
where: short stacking energy: -203.195
Base-Backbone interact. energy: -0.722
local terms energy: -204.225468
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -64.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -666.689499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.689499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.689499 (E_RNA)
where:
Base-Base interactions energy: -437.171
where: short stacking energy: -201.138
Base-Backbone interact. energy: -0.545
local terms energy: -228.973516
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -49.036
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -65.756
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: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -610.361407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.361407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.361407 (E_RNA)
where:
Base-Base interactions energy: -398.189
where: short stacking energy: -169.304
Base-Backbone interact. energy: -0.114
local terms energy: -212.057608
where:
bonds (distance) C4'-P energy: -41.272
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -47.332
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -57.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -580.853411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.853411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.853411 (E_RNA)
where:
Base-Base interactions energy: -382.085
where: short stacking energy: -168.020
Base-Backbone interact. energy: 0.567
local terms energy: -199.335852
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -53.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -549.910144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.910144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.910144 (E_RNA)
where:
Base-Base interactions energy: -353.771
where: short stacking energy: -164.316
Base-Backbone interact. energy: -0.108
local terms energy: -196.031058
where:
bonds (distance) C4'-P energy: -42.488
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -50.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -523.553423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.553423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.553423 (E_RNA)
where:
Base-Base interactions energy: -361.424
where: short stacking energy: -132.837
Base-Backbone interact. energy: 0.559
local terms energy: -162.688242
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -36.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -422.091438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.091438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.091438 (E_RNA)
where:
Base-Base interactions energy: -263.578
where: short stacking energy: -128.817
Base-Backbone interact. energy: 2.190
local terms energy: -160.703510
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -32.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -310.904340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.904340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.904340 (E_RNA)
where:
Base-Base interactions energy: -169.073
where: short stacking energy: -91.760
Base-Backbone interact. energy: -0.946
local terms energy: -140.885695
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -23.604
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: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -193.883793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.883793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.883793 (E_RNA)
where:
Base-Base interactions energy: -90.660
where: short stacking energy: -50.270
Base-Backbone interact. energy: -0.764
local terms energy: -102.459773
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -40.305
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: 13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -170.841740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.841740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.841740 (E_RNA)
where:
Base-Base interactions energy: -56.058
where: short stacking energy: -52.279
Base-Backbone interact. energy: -1.525
local terms energy: -113.258609
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -39.651
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -647.572087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.572087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.572087 (E_RNA)
where:
Base-Base interactions energy: -433.685
where: short stacking energy: -187.897
Base-Backbone interact. energy: -0.834
local terms energy: -213.053440
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -49.078
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -59.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -653.209092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.209092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.209092 (E_RNA)
where:
Base-Base interactions energy: -440.064
where: short stacking energy: -198.039
Base-Backbone interact. energy: -0.433
local terms energy: -212.712522
where:
bonds (distance) C4'-P energy: -38.095
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -61.046
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: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -611.973471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.973471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.973471 (E_RNA)
where:
Base-Base interactions energy: -403.806
where: short stacking energy: -177.717
Base-Backbone interact. energy: -0.424
local terms energy: -207.743421
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -56.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -582.353960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.353960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.353960 (E_RNA)
where:
Base-Base interactions energy: -391.048
where: short stacking energy: -179.309
Base-Backbone interact. energy: -0.293
local terms energy: -191.012842
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -38.680
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -53.537
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: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -546.329035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.329035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.329035 (E_RNA)
where:
Base-Base interactions energy: -374.624
where: short stacking energy: -168.422
Base-Backbone interact. energy: 3.247
local terms energy: -174.952421
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -31.191
tors. eta vs tors. theta energy: -37.855
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: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -498.127425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.127425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.127425 (E_RNA)
where:
Base-Base interactions energy: -343.857
where: short stacking energy: -143.766
Base-Backbone interact. energy: -1.936
local terms energy: -152.334756
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -36.776
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -34.455
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: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -419.010815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.010815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.010815 (E_RNA)
where:
Base-Base interactions energy: -273.871
where: short stacking energy: -107.232
Base-Backbone interact. energy: -0.501
local terms energy: -144.638549
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -28.739
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: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -245.862588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.862588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.862588 (E_RNA)
where:
Base-Base interactions energy: -111.983
where: short stacking energy: -66.407
Base-Backbone interact. energy: 0.381
local terms energy: -134.260760
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -257.331299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.331299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.331299 (E_RNA)
where:
Base-Base interactions energy: -136.859
where: short stacking energy: -84.770
Base-Backbone interact. energy: -0.410
local terms energy: -120.062627
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -36.997
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -179.899386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.899386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.899386 (E_RNA)
where:
Base-Base interactions energy: -64.823
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.681
local terms energy: -114.395260
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -19.374
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: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -663.288080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.288080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.288080 (E_RNA)
where:
Base-Base interactions energy: -429.240
where: short stacking energy: -187.583
Base-Backbone interact. energy: -1.963
local terms energy: -232.085192
where:
bonds (distance) C4'-P energy: -41.382
bonds (distance) P-C4' energy: -41.807
flat angles C4'-P-C4' energy: -49.260
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: -65.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -658.960463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.960463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.960463 (E_RNA)
where:
Base-Base interactions energy: -442.012
where: short stacking energy: -198.528
Base-Backbone interact. energy: 0.342
local terms energy: -217.290230
where:
bonds (distance) C4'-P energy: -44.078
bonds (distance) P-C4' energy: -39.792
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -64.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -615.186133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.186133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.186133 (E_RNA)
where:
Base-Base interactions energy: -416.782
where: short stacking energy: -182.350
Base-Backbone interact. energy: -1.094
local terms energy: -197.310076
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -37.360
flat angles C4'-P-C4' energy: -40.525
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: -57.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -572.796559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.796559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.796559 (E_RNA)
where:
Base-Base interactions energy: -378.314
where: short stacking energy: -163.708
Base-Backbone interact. energy: -2.145
local terms energy: -192.337572
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -29.210
tors. eta vs tors. theta energy: -48.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -558.525428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.525428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.525428 (E_RNA)
where:
Base-Base interactions energy: -368.552
where: short stacking energy: -175.837
Base-Backbone interact. energy: 1.445
local terms energy: -191.418533
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -44.868
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -46.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -513.257895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.257895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.257895 (E_RNA)
where:
Base-Base interactions energy: -327.065
where: short stacking energy: -141.901
Base-Backbone interact. energy: -1.094
local terms energy: -185.098346
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -39.374
flat angles C4'-P-C4' energy: -45.011
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -46.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -406.774840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.774840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.774840 (E_RNA)
where:
Base-Base interactions energy: -246.394
where: short stacking energy: -115.566
Base-Backbone interact. energy: -0.414
local terms energy: -159.966996
where:
bonds (distance) C4'-P energy: -33.881
bonds (distance) P-C4' energy: -35.679
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -201.449355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.449355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.449355 (E_RNA)
where:
Base-Base interactions energy: -97.185
where: short stacking energy: -56.382
Base-Backbone interact. energy: 1.783
local terms energy: -106.047628
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -256.142257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.142257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.142257 (E_RNA)
where:
Base-Base interactions energy: -148.403
where: short stacking energy: -80.944
Base-Backbone interact. energy: -0.292
local terms energy: -107.447163
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -9.964
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: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -163.478371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.478371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.478371 (E_RNA)
where:
Base-Base interactions energy: -49.541
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.412
local terms energy: -113.525197
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -2.857
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -643.039531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.039531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.039531 (E_RNA)
where:
Base-Base interactions energy: -420.429
where: short stacking energy: -183.336
Base-Backbone interact. energy: -0.971
local terms energy: -221.640060
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -44.041
flat angles C4'-P-C4' energy: -46.693
flat angles P-C4'-P energy: -30.269
tors. eta vs tors. theta energy: -64.110
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: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -673.704609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.704609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.704609 (E_RNA)
where:
Base-Base interactions energy: -457.946
where: short stacking energy: -191.877
Base-Backbone interact. energy: -0.624
local terms energy: -215.134835
where:
bonds (distance) C4'-P energy: -40.751
bonds (distance) P-C4' energy: -39.171
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -30.429
tors. eta vs tors. theta energy: -60.377
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -632.447919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.447919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.447919 (E_RNA)
where:
Base-Base interactions energy: -419.398
where: short stacking energy: -182.293
Base-Backbone interact. energy: -1.056
local terms energy: -211.993368
where:
bonds (distance) C4'-P energy: -36.973
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -60.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -577.462104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.462104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.462104 (E_RNA)
where:
Base-Base interactions energy: -386.111
where: short stacking energy: -177.161
Base-Backbone interact. energy: -0.941
local terms energy: -190.410418
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -38.917
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -48.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -565.029942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.029942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.029942 (E_RNA)
where:
Base-Base interactions energy: -364.729
where: short stacking energy: -162.866
Base-Backbone interact. energy: -0.543
local terms energy: -199.758083
where:
bonds (distance) C4'-P energy: -36.614
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -29.370
tors. eta vs tors. theta energy: -49.751
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: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -493.213992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.213992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.213992 (E_RNA)
where:
Base-Base interactions energy: -311.737
where: short stacking energy: -137.021
Base-Backbone interact. energy: -0.434
local terms energy: -181.042769
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -43.210
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: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -423.930327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.930327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.930327 (E_RNA)
where:
Base-Base interactions energy: -252.137
where: short stacking energy: -108.659
Base-Backbone interact. energy: 0.369
local terms energy: -172.162275
where:
bonds (distance) C4'-P energy: -39.120
bonds (distance) P-C4' energy: -43.045
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -29.156
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: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -270.816773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.816773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.816773 (E_RNA)
where:
Base-Base interactions energy: -149.391
where: short stacking energy: -85.335
Base-Backbone interact. energy: -0.931
local terms energy: -120.494442
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -36.113
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -171.026132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.026132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.026132 (E_RNA)
where:
Base-Base interactions energy: -60.264
where: short stacking energy: -53.926
Base-Backbone interact. energy: -2.333
local terms energy: -108.429334
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -33.719
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -169.161056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.161056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.161056 (E_RNA)
where:
Base-Base interactions energy: -55.593
where: short stacking energy: -46.013
Base-Backbone interact. energy: -0.673
local terms energy: -112.894540
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: 4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -656.776135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.776135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.776135 (E_RNA)
where:
Base-Base interactions energy: -443.803
where: short stacking energy: -183.433
Base-Backbone interact. energy: -0.665
local terms energy: -212.307801
where:
bonds (distance) C4'-P energy: -40.356
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -47.941
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -62.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -642.424234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.424234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.424234 (E_RNA)
where:
Base-Base interactions energy: -428.981
where: short stacking energy: -200.272
Base-Backbone interact. energy: -0.245
local terms energy: -213.198940
where:
bonds (distance) C4'-P energy: -39.456
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -40.978
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -62.737
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: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -639.029572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.029572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.029572 (E_RNA)
where:
Base-Base interactions energy: -430.009
where: short stacking energy: -197.483
Base-Backbone interact. energy: -0.707
local terms energy: -208.312898
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -60.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -562.356471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.356471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.356471 (E_RNA)
where:
Base-Base interactions energy: -360.612
where: short stacking energy: -171.223
Base-Backbone interact. energy: -0.943
local terms energy: -200.801573
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -38.715
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -55.645
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: 178
Temperature: 1.100000
Total energy: -578.427621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.427621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.427621 (E_RNA)
where:
Base-Base interactions energy: -389.071
where: short stacking energy: -175.225
Base-Backbone interact. energy: 0.349
local terms energy: -189.705828
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -55.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -505.147533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.147533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.147533 (E_RNA)
where:
Base-Base interactions energy: -332.323
where: short stacking energy: -145.888
Base-Backbone interact. energy: 0.043
local terms energy: -172.867586
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -46.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -419.036341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.036341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.036341 (E_RNA)
where:
Base-Base interactions energy: -269.720
where: short stacking energy: -124.343
Base-Backbone interact. energy: -0.422
local terms energy: -148.894191
where:
bonds (distance) C4'-P energy: -35.637
bonds (distance) P-C4' energy: -39.435
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -26.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -265.978490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.978490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.978490 (E_RNA)
where:
Base-Base interactions energy: -134.333
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.063
local terms energy: -131.582509
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -39.936
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -182.272694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.272694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.272694 (E_RNA)
where:
Base-Base interactions energy: -63.081
where: short stacking energy: -57.101
Base-Backbone interact. energy: 2.061
local terms energy: -121.252942
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -1.190
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: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -177.620583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.620583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.620583 (E_RNA)
where:
Base-Base interactions energy: -60.318
where: short stacking energy: -45.014
Base-Backbone interact. energy: -0.272
local terms energy: -117.030691
where:
bonds (distance) C4'-P energy: -38.695
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: 4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -663.617240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.617240 (E_RNA)
where:
Base-Base interactions energy: -434.968
where: short stacking energy: -200.409
Base-Backbone interact. energy: -0.824
local terms energy: -227.825703
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -44.347
flat angles C4'-P-C4' energy: -45.405
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -63.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -646.178720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.178720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.178720 (E_RNA)
where:
Base-Base interactions energy: -434.547
where: short stacking energy: -188.986
Base-Backbone interact. energy: -0.319
local terms energy: -211.312080
where:
bonds (distance) C4'-P energy: -33.563
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -48.037
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -59.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -636.086090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.086090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.086090 (E_RNA)
where:
Base-Base interactions energy: -425.261
where: short stacking energy: -187.649
Base-Backbone interact. energy: -0.804
local terms energy: -210.020857
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -41.889
flat angles C4'-P-C4' energy: -47.673
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -61.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -580.035451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.035451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.035451 (E_RNA)
where:
Base-Base interactions energy: -392.408
where: short stacking energy: -165.527
Base-Backbone interact. energy: -0.770
local terms energy: -186.857515
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -44.066
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -46.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -537.055852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.055852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.055852 (E_RNA)
where:
Base-Base interactions energy: -356.806
where: short stacking energy: -160.379
Base-Backbone interact. energy: -0.095
local terms energy: -180.154747
where:
bonds (distance) C4'-P energy: -29.250
bonds (distance) P-C4' energy: -36.246
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -50.158
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: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -531.387499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.387499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.387499 (E_RNA)
where:
Base-Base interactions energy: -361.292
where: short stacking energy: -145.212
Base-Backbone interact. energy: 1.107
local terms energy: -171.202158
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -47.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -398.977689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.977689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.977689 (E_RNA)
where:
Base-Base interactions energy: -254.279
where: short stacking energy: -115.279
Base-Backbone interact. energy: -1.298
local terms energy: -143.401269
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -37.241
flat angles C4'-P-C4' energy: -35.576
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -281.488731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.488731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.488731 (E_RNA)
where:
Base-Base interactions energy: -129.377
where: short stacking energy: -72.550
Base-Backbone interact. energy: -0.664
local terms energy: -151.447522
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -39.590
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -188.934810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.934810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934810 (E_RNA)
where:
Base-Base interactions energy: -67.111
where: short stacking energy: -58.710
Base-Backbone interact. energy: -0.344
local terms energy: -121.479962
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -20.995
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: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -191.756701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.756701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.756701 (E_RNA)
where:
Base-Base interactions energy: -80.230
where: short stacking energy: -53.198
Base-Backbone interact. energy: 1.894
local terms energy: -113.421076
where:
bonds (distance) C4'-P energy: -34.101
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -34.119
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: 1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -656.374450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.374450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.374450 (E_RNA)
where:
Base-Base interactions energy: -430.018
where: short stacking energy: -193.171
Base-Backbone interact. energy: -0.705
local terms energy: -225.651057
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -44.136
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -66.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -649.159592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.159592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.159592 (E_RNA)
where:
Base-Base interactions energy: -422.574
where: short stacking energy: -196.052
Base-Backbone interact. energy: -1.840
local terms energy: -224.746099
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -40.289
flat angles C4'-P-C4' energy: -46.073
flat angles P-C4'-P energy: -35.915
tors. eta vs tors. theta energy: -66.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -634.039436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.039436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.039436 (E_RNA)
where:
Base-Base interactions energy: -410.065
where: short stacking energy: -196.424
Base-Backbone interact. energy: -0.229
local terms energy: -223.744677
where:
bonds (distance) C4'-P energy: -43.673
bonds (distance) P-C4' energy: -44.358
flat angles C4'-P-C4' energy: -35.868
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -67.685
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: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -572.481853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.481853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.481853 (E_RNA)
where:
Base-Base interactions energy: -369.526
where: short stacking energy: -169.367
Base-Backbone interact. energy: -1.061
local terms energy: -201.895497
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -35.722
flat angles C4'-P-C4' energy: -42.256
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -59.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -543.960930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.960930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.960930 (E_RNA)
where:
Base-Base interactions energy: -359.971
where: short stacking energy: -162.472
Base-Backbone interact. energy: -0.017
local terms energy: -183.972294
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -47.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -542.092994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.092994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.092994 (E_RNA)
where:
Base-Base interactions energy: -356.947
where: short stacking energy: -137.050
Base-Backbone interact. energy: -0.809
local terms energy: -184.336897
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -39.611
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -46.459
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: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -418.889237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.889237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.889237 (E_RNA)
where:
Base-Base interactions energy: -253.399
where: short stacking energy: -108.067
Base-Backbone interact. energy: -1.580
local terms energy: -163.909866
where:
bonds (distance) C4'-P energy: -43.378
bonds (distance) P-C4' energy: -41.068
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -24.623
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: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -306.477000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.477000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.477000 (E_RNA)
where:
Base-Base interactions energy: -164.314
where: short stacking energy: -92.135
Base-Backbone interact. energy: -0.710
local terms energy: -141.453201
where:
bonds (distance) C4'-P energy: -40.811
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -14.697
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: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -248.093238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.093238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.093238 (E_RNA)
where:
Base-Base interactions energy: -119.510
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.686
local terms energy: -127.897208
where:
bonds (distance) C4'-P energy: -37.327
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -174.002426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.002426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.002426 (E_RNA)
where:
Base-Base interactions energy: -62.605
where: short stacking energy: -55.908
Base-Backbone interact. energy: 0.548
local terms energy: -111.945448
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -658.096412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.096412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.096412 (E_RNA)
where:
Base-Base interactions energy: -437.721
where: short stacking energy: -198.665
Base-Backbone interact. energy: 0.989
local terms energy: -221.364640
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -44.278
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -63.533
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: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -654.906981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.906981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.906981 (E_RNA)
where:
Base-Base interactions energy: -439.457
where: short stacking energy: -203.367
Base-Backbone interact. energy: -1.977
local terms energy: -213.473240
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -65.756
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: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -622.946302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.946302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.946302 (E_RNA)
where:
Base-Base interactions energy: -410.389
where: short stacking energy: -188.698
Base-Backbone interact. energy: 1.274
local terms energy: -213.830770
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -43.925
flat angles C4'-P-C4' energy: -46.661
flat angles P-C4'-P energy: -25.526
tors. eta vs tors. theta energy: -58.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -574.289466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.289466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.289466 (E_RNA)
where:
Base-Base interactions energy: -386.677
where: short stacking energy: -176.779
Base-Backbone interact. energy: -1.425
local terms energy: -186.187787
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -52.486
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: 181
Temperature: 1.100000
Total energy: -544.652847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.652847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.652847 (E_RNA)
where:
Base-Base interactions energy: -353.246
where: short stacking energy: -164.257
Base-Backbone interact. energy: -0.656
local terms energy: -190.750451
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -43.800
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -541.188568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.188568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.188568 (E_RNA)
where:
Base-Base interactions energy: -367.484
where: short stacking energy: -161.745
Base-Backbone interact. energy: -0.433
local terms energy: -173.271600
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -33.772
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -48.995
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: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -403.869686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.869686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.869686 (E_RNA)
where:
Base-Base interactions energy: -250.253
where: short stacking energy: -117.597
Base-Backbone interact. energy: 0.278
local terms energy: -153.894092
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -357.649371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.649371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.649371 (E_RNA)
where:
Base-Base interactions energy: -220.429
where: short stacking energy: -110.032
Base-Backbone interact. energy: -0.633
local terms energy: -136.587672
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -240.006058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.006058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.006058 (E_RNA)
where:
Base-Base interactions energy: -104.596
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.332
local terms energy: -135.078275
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -10.103
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -194.257742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.257742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.257742 (E_RNA)
where:
Base-Base interactions energy: -73.509
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.272
local terms energy: -120.477349
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -33.909
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -674.881550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.881550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.881550 (E_RNA)
where:
Base-Base interactions energy: -453.707
where: short stacking energy: -208.204
Base-Backbone interact. energy: 0.771
local terms energy: -221.945810
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -40.388
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -62.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -638.608772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.608772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.608772 (E_RNA)
where:
Base-Base interactions energy: -421.381
where: short stacking energy: -186.979
Base-Backbone interact. energy: -0.333
local terms energy: -216.895049
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -36.303
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -36.812
tors. eta vs tors. theta energy: -62.238
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: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -615.775078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.775078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.775078 (E_RNA)
where:
Base-Base interactions energy: -406.731
where: short stacking energy: -193.485
Base-Backbone interact. energy: 0.014
local terms energy: -209.058163
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -63.192
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: 182
Temperature: 1.050000
Total energy: -600.861163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.861163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.861163 (E_RNA)
where:
Base-Base interactions energy: -399.842
where: short stacking energy: -171.414
Base-Backbone interact. energy: -0.247
local terms energy: -200.772016
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -54.438
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: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -579.432857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.432857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.432857 (E_RNA)
where:
Base-Base interactions energy: -406.294
where: short stacking energy: -169.994
Base-Backbone interact. energy: -0.699
local terms energy: -172.439551
where:
bonds (distance) C4'-P energy: -36.079
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -48.368
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: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -543.875262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.875262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.875262 (E_RNA)
where:
Base-Base interactions energy: -357.724
where: short stacking energy: -157.795
Base-Backbone interact. energy: 0.157
local terms energy: -186.308728
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -49.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -373.497124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.497124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.497124 (E_RNA)
where:
Base-Base interactions energy: -221.412
where: short stacking energy: -108.903
Base-Backbone interact. energy: -0.887
local terms energy: -151.198210
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -371.587206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.587206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.587206 (E_RNA)
where:
Base-Base interactions energy: -222.769
where: short stacking energy: -102.483
Base-Backbone interact. energy: -2.260
local terms energy: -146.558010
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -196.766945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.766945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.766945 (E_RNA)
where:
Base-Base interactions energy: -95.759
where: short stacking energy: -55.022
Base-Backbone interact. energy: 1.494
local terms energy: -102.502240
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: 10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -177.272645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.272645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.272645 (E_RNA)
where:
Base-Base interactions energy: -68.849
where: short stacking energy: -48.147
Base-Backbone interact. energy: -1.280
local terms energy: -107.143090
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -32.021
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: 4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -671.505294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.505294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.505294 (E_RNA)
where:
Base-Base interactions energy: -447.751
where: short stacking energy: -198.846
Base-Backbone interact. energy: -0.316
local terms energy: -223.439129
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -62.364
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: 183
Temperature: 0.950000
Total energy: -630.974817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.974817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.974817 (E_RNA)
where:
Base-Base interactions energy: -423.554
where: short stacking energy: -182.304
Base-Backbone interact. energy: -0.349
local terms energy: -207.071305
where:
bonds (distance) C4'-P energy: -38.550
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -57.668
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: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -586.145145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.145145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.145145 (E_RNA)
where:
Base-Base interactions energy: -383.743
where: short stacking energy: -180.300
Base-Backbone interact. energy: 1.681
local terms energy: -204.082863
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -42.473
flat angles C4'-P-C4' energy: -47.087
flat angles P-C4'-P energy: -31.207
tors. eta vs tors. theta energy: -55.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -609.583686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.583686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.583686 (E_RNA)
where:
Base-Base interactions energy: -401.402
where: short stacking energy: -177.468
Base-Backbone interact. energy: -0.656
local terms energy: -207.525519
where:
bonds (distance) C4'-P energy: -37.351
bonds (distance) P-C4' energy: -41.315
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -59.188
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: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -582.916264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.916264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.916264 (E_RNA)
where:
Base-Base interactions energy: -376.638
where: short stacking energy: -168.571
Base-Backbone interact. energy: -1.276
local terms energy: -205.001954
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -43.615
flat angles P-C4'-P energy: -30.484
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -530.426472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.426472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.426472 (E_RNA)
where:
Base-Base interactions energy: -350.882
where: short stacking energy: -155.379
Base-Backbone interact. energy: 0.452
local terms energy: -179.996811
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -35.239
flat angles C4'-P-C4' energy: -41.713
flat angles P-C4'-P energy: -22.406
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -385.704084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.704084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.704084 (E_RNA)
where:
Base-Base interactions energy: -221.793
where: short stacking energy: -113.216
Base-Backbone interact. energy: -1.878
local terms energy: -162.033069
where:
bonds (distance) C4'-P energy: -29.742
bonds (distance) P-C4' energy: -42.263
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -403.773782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.773782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.773782 (E_RNA)
where:
Base-Base interactions energy: -243.006
where: short stacking energy: -114.333
Base-Backbone interact. energy: -0.068
local terms energy: -160.700028
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -40.786
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -30.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -181.336561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.336561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.336561 (E_RNA)
where:
Base-Base interactions energy: -71.358
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.893
local terms energy: -109.085009
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: 3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -176.716168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.716168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.716168 (E_RNA)
where:
Base-Base interactions energy: -50.173
where: short stacking energy: -47.517
Base-Backbone interact. energy: -1.096
local terms energy: -125.447465
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -38.644
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -685.443400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.443400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.443400 (E_RNA)
where:
Base-Base interactions energy: -457.636
where: short stacking energy: -217.787
Base-Backbone interact. energy: -0.751
local terms energy: -227.055922
where:
bonds (distance) C4'-P energy: -41.976
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -44.043
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -66.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -647.897344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.897344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.897344 (E_RNA)
where:
Base-Base interactions energy: -440.177
where: short stacking energy: -188.164
Base-Backbone interact. energy: -0.492
local terms energy: -207.228122
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -38.059
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -58.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -619.155841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.155841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.155841 (E_RNA)
where:
Base-Base interactions energy: -418.277
where: short stacking energy: -181.744
Base-Backbone interact. energy: -1.010
local terms energy: -199.868947
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -37.041
flat angles C4'-P-C4' energy: -40.129
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: -59.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -587.337511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.337511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.337511 (E_RNA)
where:
Base-Base interactions energy: -386.910
where: short stacking energy: -175.383
Base-Backbone interact. energy: -0.291
local terms energy: -200.137035
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -42.489
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -558.962358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.962358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.962358 (E_RNA)
where:
Base-Base interactions energy: -372.847
where: short stacking energy: -159.783
Base-Backbone interact. energy: -0.374
local terms energy: -185.742147
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -35.863
flat angles P-C4'-P energy: -29.717
tors. eta vs tors. theta energy: -47.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -524.720944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.720944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.720944 (E_RNA)
where:
Base-Base interactions energy: -333.884
where: short stacking energy: -163.622
Base-Backbone interact. energy: -0.461
local terms energy: -190.376072
where:
bonds (distance) C4'-P energy: -39.372
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -42.878
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: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -437.394560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.394560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.394560 (E_RNA)
where:
Base-Base interactions energy: -274.012
where: short stacking energy: -106.122
Base-Backbone interact. energy: -0.909
local terms energy: -162.473853
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -34.895
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: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -378.327631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.327631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.327631 (E_RNA)
where:
Base-Base interactions energy: -223.011
where: short stacking energy: -101.583
Base-Backbone interact. energy: 1.113
local terms energy: -156.429402
where:
bonds (distance) C4'-P energy: -37.651
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -180.996190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.996190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.996190 (E_RNA)
where:
Base-Base interactions energy: -61.581
where: short stacking energy: -52.244
Base-Backbone interact. energy: 0.862
local terms energy: -120.277781
where:
bonds (distance) C4'-P energy: -37.228
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: 3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -169.653989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.653989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.653989 (E_RNA)
where:
Base-Base interactions energy: -58.236
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.536
local terms energy: -110.882409
where:
bonds (distance) C4'-P energy: -36.137
bonds (distance) P-C4' energy: -44.139
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: 7.568
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: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -675.315344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.315344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.315344 (E_RNA)
where:
Base-Base interactions energy: -452.453
where: short stacking energy: -213.100
Base-Backbone interact. energy: -0.056
local terms energy: -222.806477
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -41.203
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -65.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -637.043143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.043143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.043143 (E_RNA)
where:
Base-Base interactions energy: -423.682
where: short stacking energy: -191.831
Base-Backbone interact. energy: -0.208
local terms energy: -213.152597
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -45.083
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -57.846
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: 185
Temperature: 1.000000
Total energy: -619.093801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.093801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.093801 (E_RNA)
where:
Base-Base interactions energy: -420.851
where: short stacking energy: -186.233
Base-Backbone interact. energy: -2.012
local terms energy: -196.230842
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -35.141
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -52.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -579.138712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.138712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.138712 (E_RNA)
where:
Base-Base interactions energy: -393.637
where: short stacking energy: -163.074
Base-Backbone interact. energy: -0.246
local terms energy: -185.255625
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -48.617
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: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -568.269728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.269728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.269728 (E_RNA)
where:
Base-Base interactions energy: -391.929
where: short stacking energy: -168.022
Base-Backbone interact. energy: 1.294
local terms energy: -177.634621
where:
bonds (distance) C4'-P energy: -32.944
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -49.464
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -529.105259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.105259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.105259 (E_RNA)
where:
Base-Base interactions energy: -359.420
where: short stacking energy: -164.959
Base-Backbone interact. energy: -0.920
local terms energy: -168.765612
where:
bonds (distance) C4'-P energy: -34.606
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -44.834
flat angles P-C4'-P energy: -16.469
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: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -457.769093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.769093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.769093 (E_RNA)
where:
Base-Base interactions energy: -306.559
where: short stacking energy: -118.898
Base-Backbone interact. energy: -0.562
local terms energy: -150.647864
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -41.558
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -350.518787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.518787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.518787 (E_RNA)
where:
Base-Base interactions energy: -201.311
where: short stacking energy: -104.840
Base-Backbone interact. energy: -0.767
local terms energy: -148.441113
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -37.171
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -181.631075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.631075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.631075 (E_RNA)
where:
Base-Base interactions energy: -68.106
where: short stacking energy: -52.825
Base-Backbone interact. energy: -0.123
local terms energy: -113.402979
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: 4.076
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -175.712562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.712562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.712562 (E_RNA)
where:
Base-Base interactions energy: -48.335
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.402
local terms energy: -126.975052
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -669.041381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.041381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.041381 (E_RNA)
where:
Base-Base interactions energy: -448.221
where: short stacking energy: -200.041
Base-Backbone interact. energy: -0.253
local terms energy: -220.567396
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -42.753
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -66.358
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: 186
Temperature: 0.950000
Total energy: -640.444395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.444395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.444395 (E_RNA)
where:
Base-Base interactions energy: -423.807
where: short stacking energy: -197.276
Base-Backbone interact. energy: -0.415
local terms energy: -216.222161
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -66.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -624.094344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.094344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.094344 (E_RNA)
where:
Base-Base interactions energy: -418.251
where: short stacking energy: -188.750
Base-Backbone interact. energy: -1.266
local terms energy: -204.576621
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -41.720
flat angles P-C4'-P energy: -31.458
tors. eta vs tors. theta energy: -61.277
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -590.622181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.622181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.622181 (E_RNA)
where:
Base-Base interactions energy: -391.621
where: short stacking energy: -158.968
Base-Backbone interact. energy: 2.253
local terms energy: -201.254746
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -44.666
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -30.603
tors. eta vs tors. theta energy: -54.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -565.043864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.043864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.043864 (E_RNA)
where:
Base-Base interactions energy: -374.929
where: short stacking energy: -176.281
Base-Backbone interact. energy: -0.621
local terms energy: -189.493421
where:
bonds (distance) C4'-P energy: -35.685
bonds (distance) P-C4' energy: -36.636
flat angles C4'-P-C4' energy: -41.701
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -50.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -513.904191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.904191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.904191 (E_RNA)
where:
Base-Base interactions energy: -349.061
where: short stacking energy: -157.183
Base-Backbone interact. energy: -0.301
local terms energy: -164.543150
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -42.871
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: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -410.578519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.578519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.578519 (E_RNA)
where:
Base-Base interactions energy: -261.835
where: short stacking energy: -114.109
Base-Backbone interact. energy: -0.165
local terms energy: -148.579039
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -337.031059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.031059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.031059 (E_RNA)
where:
Base-Base interactions energy: -202.525
where: short stacking energy: -99.927
Base-Backbone interact. energy: 1.360
local terms energy: -135.866889
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -38.430
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.180
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -193.427265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.427265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.427265 (E_RNA)
where:
Base-Base interactions energy: -72.774
where: short stacking energy: -47.883
Base-Backbone interact. energy: -1.144
local terms energy: -119.508800
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -36.185
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -175.696023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.696023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.696023 (E_RNA)
where:
Base-Base interactions energy: -64.531
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.260
local terms energy: -110.905740
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: 3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -677.835560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.835560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.835560 (E_RNA)
where:
Base-Base interactions energy: -445.155
where: short stacking energy: -215.996
Base-Backbone interact. energy: -0.846
local terms energy: -231.834128
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -49.900
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -67.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -650.086560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.086560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.086560 (E_RNA)
where:
Base-Base interactions energy: -426.400
where: short stacking energy: -207.348
Base-Backbone interact. energy: -0.481
local terms energy: -223.205167
where:
bonds (distance) C4'-P energy: -39.775
bonds (distance) P-C4' energy: -44.151
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -64.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -637.083071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.083071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.083071 (E_RNA)
where:
Base-Base interactions energy: -424.759
where: short stacking energy: -183.001
Base-Backbone interact. energy: -0.794
local terms energy: -211.530764
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -60.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -592.541634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.541634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.541634 (E_RNA)
where:
Base-Base interactions energy: -397.797
where: short stacking energy: -168.895
Base-Backbone interact. energy: -0.202
local terms energy: -194.542593
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -39.913
flat angles P-C4'-P energy: -33.175
tors. eta vs tors. theta energy: -56.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -552.578257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.578257 (E_RNA)
where:
Base-Base interactions energy: -365.888
where: short stacking energy: -169.174
Base-Backbone interact. energy: -1.224
local terms energy: -185.466832
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -45.688
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -48.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -520.441103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.441103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.441103 (E_RNA)
where:
Base-Base interactions energy: -333.632
where: short stacking energy: -156.395
Base-Backbone interact. energy: -0.276
local terms energy: -186.533689
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -38.476
flat angles P-C4'-P energy: -26.579
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: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -407.584918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.584918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.584918 (E_RNA)
where:
Base-Base interactions energy: -255.210
where: short stacking energy: -117.425
Base-Backbone interact. energy: -0.226
local terms energy: -152.149570
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -38.178
flat angles C4'-P-C4' energy: -40.001
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -345.154588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.154588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.154588 (E_RNA)
where:
Base-Base interactions energy: -205.354
where: short stacking energy: -93.996
Base-Backbone interact. energy: -2.131
local terms energy: -137.670023
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -13.395
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: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -204.902585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.902585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.902585 (E_RNA)
where:
Base-Base interactions energy: -73.399
where: short stacking energy: -64.095
Base-Backbone interact. energy: -1.965
local terms energy: -129.538955
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -40.496
flat angles C4'-P-C4' energy: -28.043
flat angles P-C4'-P energy: -27.405
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: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -183.702521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.702521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.702521 (E_RNA)
where:
Base-Base interactions energy: -77.283
where: short stacking energy: -36.758
Base-Backbone interact. energy: 0.853
local terms energy: -107.272153
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -39.282
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: 2.040
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: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -676.958752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.958752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.958752 (E_RNA)
where:
Base-Base interactions energy: -467.648
where: short stacking energy: -214.393
Base-Backbone interact. energy: 1.769
local terms energy: -211.079059
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -39.821
flat angles C4'-P-C4' energy: -46.789
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: -60.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -635.897031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.897031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.897031 (E_RNA)
where:
Base-Base interactions energy: -421.694
where: short stacking energy: -201.173
Base-Backbone interact. energy: -0.113
local terms energy: -214.090256
where:
bonds (distance) C4'-P energy: -37.612
bonds (distance) P-C4' energy: -39.296
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -27.864
tors. eta vs tors. theta energy: -62.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -637.496283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.496283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.496283 (E_RNA)
where:
Base-Base interactions energy: -437.059
where: short stacking energy: -182.537
Base-Backbone interact. energy: 2.340
local terms energy: -202.777435
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -56.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -605.032630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.032630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.032630 (E_RNA)
where:
Base-Base interactions energy: -404.255
where: short stacking energy: -165.725
Base-Backbone interact. energy: -0.884
local terms energy: -199.892743
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -31.412
flat angles C4'-P-C4' energy: -38.572
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -64.506
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: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -581.480346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.480346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.480346 (E_RNA)
where:
Base-Base interactions energy: -380.733
where: short stacking energy: -176.811
Base-Backbone interact. energy: 1.856
local terms energy: -202.603036
where:
bonds (distance) C4'-P energy: -41.258
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -53.495
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -512.759967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.759967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.759967 (E_RNA)
where:
Base-Base interactions energy: -353.134
where: short stacking energy: -152.773
Base-Backbone interact. energy: -0.699
local terms energy: -158.927421
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -43.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -415.529288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.529288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.529288 (E_RNA)
where:
Base-Base interactions energy: -260.953
where: short stacking energy: -110.587
Base-Backbone interact. energy: -0.845
local terms energy: -153.731867
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -346.507785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.507785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.507785 (E_RNA)
where:
Base-Base interactions energy: -201.128
where: short stacking energy: -108.238
Base-Backbone interact. energy: 1.406
local terms energy: -146.786090
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -43.358
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -192.984779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.984779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.984779 (E_RNA)
where:
Base-Base interactions energy: -67.478
where: short stacking energy: -42.158
Base-Backbone interact. energy: 0.626
local terms energy: -126.132445
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -36.897
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: 2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -164.809557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.809557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.809557 (E_RNA)
where:
Base-Base interactions energy: -40.863
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.180
local terms energy: -123.765841
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: 5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -695.382073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.382073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.382073 (E_RNA)
where:
Base-Base interactions energy: -468.844
where: short stacking energy: -220.374
Base-Backbone interact. energy: -0.257
local terms energy: -226.280918
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -46.874
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -70.710
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: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -655.280784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.280784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.280784 (E_RNA)
where:
Base-Base interactions energy: -433.490
where: short stacking energy: -202.667
Base-Backbone interact. energy: -0.110
local terms energy: -221.681361
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -47.280
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -64.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -658.595686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.595686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.595686 (E_RNA)
where:
Base-Base interactions energy: -437.214
where: short stacking energy: -188.449
Base-Backbone interact. energy: -1.252
local terms energy: -220.129361
where:
bonds (distance) C4'-P energy: -37.205
bonds (distance) P-C4' energy: -44.248
flat angles C4'-P-C4' energy: -43.963
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -65.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -584.952363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.952363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.952363 (E_RNA)
where:
Base-Base interactions energy: -396.382
where: short stacking energy: -176.326
Base-Backbone interact. energy: -0.203
local terms energy: -188.367139
where:
bonds (distance) C4'-P energy: -39.578
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -45.312
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -562.949743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.949743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.949743 (E_RNA)
where:
Base-Base interactions energy: -373.799
where: short stacking energy: -161.228
Base-Backbone interact. energy: 1.328
local terms energy: -190.478341
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -42.095
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -49.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -544.953655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.953655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.953655 (E_RNA)
where:
Base-Base interactions energy: -348.514
where: short stacking energy: -168.943
Base-Backbone interact. energy: -0.820
local terms energy: -195.619546
where:
bonds (distance) C4'-P energy: -35.595
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -42.082
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -52.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -418.654839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.654839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.654839 (E_RNA)
where:
Base-Base interactions energy: -257.316
where: short stacking energy: -121.797
Base-Backbone interact. energy: -3.089
local terms energy: -158.249482
where:
bonds (distance) C4'-P energy: -38.322
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -31.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -346.167966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.167966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.167966 (E_RNA)
where:
Base-Base interactions energy: -205.879
where: short stacking energy: -94.156
Base-Backbone interact. energy: 0.141
local terms energy: -140.429188
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -213.237313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.237313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.237313 (E_RNA)
where:
Base-Base interactions energy: -109.600
where: short stacking energy: -56.159
Base-Backbone interact. energy: -1.326
local terms energy: -102.311525
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: 2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -174.982022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.982022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.982022 (E_RNA)
where:
Base-Base interactions energy: -50.988
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.680
local terms energy: -123.313797
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: 4.111
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: 190
Temperature: 0.900000
Total energy: -653.874502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.874502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.874502 (E_RNA)
where:
Base-Base interactions energy: -429.592
where: short stacking energy: -194.658
Base-Backbone interact. energy: -0.798
local terms energy: -223.483780
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -38.403
flat angles C4'-P-C4' energy: -47.496
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -64.160
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -654.637863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.637863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.637863 (E_RNA)
where:
Base-Base interactions energy: -423.062
where: short stacking energy: -202.570
Base-Backbone interact. energy: -0.134
local terms energy: -231.441839
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -68.892
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -660.604293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.604293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.604293 (E_RNA)
where:
Base-Base interactions energy: -437.894
where: short stacking energy: -203.460
Base-Backbone interact. energy: -0.399
local terms energy: -222.311844
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -45.740
flat angles P-C4'-P energy: -32.423
tors. eta vs tors. theta energy: -67.436
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: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -593.765674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.765674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.765674 (E_RNA)
where:
Base-Base interactions energy: -405.546
where: short stacking energy: -155.876
Base-Backbone interact. energy: -0.354
local terms energy: -187.866273
where:
bonds (distance) C4'-P energy: -38.231
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -52.602
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -536.017636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.017636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.017636 (E_RNA)
where:
Base-Base interactions energy: -340.776
where: short stacking energy: -156.628
Base-Backbone interact. energy: -0.200
local terms energy: -195.042222
where:
bonds (distance) C4'-P energy: -42.571
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -41.878
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -49.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -552.658542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.658542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.658542 (E_RNA)
where:
Base-Base interactions energy: -368.639
where: short stacking energy: -157.960
Base-Backbone interact. energy: -0.633
local terms energy: -183.386488
where:
bonds (distance) C4'-P energy: -34.868
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -43.401
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: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -412.623008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.623008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.623008 (E_RNA)
where:
Base-Base interactions energy: -269.500
where: short stacking energy: -127.995
Base-Backbone interact. energy: 0.196
local terms energy: -143.319673
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -36.372
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -13.403
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: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -376.275880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.275880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.275880 (E_RNA)
where:
Base-Base interactions energy: -238.291
where: short stacking energy: -97.732
Base-Backbone interact. energy: 0.222
local terms energy: -138.206505
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -221.922148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.922148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.922148 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.790
local terms energy: -116.615153
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -12.603
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -185.179052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.179052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.179052 (E_RNA)
where:
Base-Base interactions energy: -75.772
where: short stacking energy: -51.647
Base-Backbone interact. energy: 1.438
local terms energy: -110.845712
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -649.549231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.549231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.549231 (E_RNA)
where:
Base-Base interactions energy: -434.613
where: short stacking energy: -194.275
Base-Backbone interact. energy: -0.316
local terms energy: -214.619869
where:
bonds (distance) C4'-P energy: -36.284
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -43.599
flat angles P-C4'-P energy: -32.660
tors. eta vs tors. theta energy: -56.541
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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -661.040434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.040434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.040434 (E_RNA)
where:
Base-Base interactions energy: -444.211
where: short stacking energy: -202.580
Base-Backbone interact. energy: -0.796
local terms energy: -216.034029
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -40.295
flat angles C4'-P-C4' energy: -42.701
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -63.371
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: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -661.622754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.622754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.622754 (E_RNA)
where:
Base-Base interactions energy: -441.271
where: short stacking energy: -208.837
Base-Backbone interact. energy: -1.450
local terms energy: -218.901429
where:
bonds (distance) C4'-P energy: -42.129
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -48.755
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -61.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -578.305089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.305089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.305089 (E_RNA)
where:
Base-Base interactions energy: -383.527
where: short stacking energy: -169.606
Base-Backbone interact. energy: -0.572
local terms energy: -194.206195
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -41.135
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -52.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -524.421782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.421782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.421782 (E_RNA)
where:
Base-Base interactions energy: -333.538
where: short stacking energy: -140.724
Base-Backbone interact. energy: -0.254
local terms energy: -190.630152
where:
bonds (distance) C4'-P energy: -39.537
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -32.356
tors. eta vs tors. theta energy: -45.667
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -539.653556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.653556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.653556 (E_RNA)
where:
Base-Base interactions energy: -362.881
where: short stacking energy: -153.345
Base-Backbone interact. energy: -2.183
local terms energy: -174.589218
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -44.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -427.448708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.448708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.448708 (E_RNA)
where:
Base-Base interactions energy: -280.408
where: short stacking energy: -119.530
Base-Backbone interact. energy: -1.937
local terms energy: -145.103800
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -25.108
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -312.599610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.599610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.599610 (E_RNA)
where:
Base-Base interactions energy: -168.348
where: short stacking energy: -79.627
Base-Backbone interact. energy: -0.548
local terms energy: -143.703805
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -182.378906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.378906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.378906 (E_RNA)
where:
Base-Base interactions energy: -68.199
where: short stacking energy: -64.084
Base-Backbone interact. energy: 0.241
local terms energy: -114.420954
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -163.120188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.120188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.120188 (E_RNA)
where:
Base-Base interactions energy: -55.443
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.435
local terms energy: -107.242015
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -22.796
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: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -674.840909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.840909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.840909 (E_RNA)
where:
Base-Base interactions energy: -437.973
where: short stacking energy: -193.358
Base-Backbone interact. energy: -0.267
local terms energy: -236.601044
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -47.201
flat angles P-C4'-P energy: -39.851
tors. eta vs tors. theta energy: -64.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -650.965443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.965443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.965443 (E_RNA)
where:
Base-Base interactions energy: -437.489
where: short stacking energy: -194.806
Base-Backbone interact. energy: -0.153
local terms energy: -213.323927
where:
bonds (distance) C4'-P energy: -44.284
bonds (distance) P-C4' energy: -44.273
flat angles C4'-P-C4' energy: -45.565
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -54.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -650.305383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.305383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.305383 (E_RNA)
where:
Base-Base interactions energy: -436.487
where: short stacking energy: -202.000
Base-Backbone interact. energy: -0.134
local terms energy: -213.684247
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -46.413
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -63.290
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: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -605.609123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.609123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.609123 (E_RNA)
where:
Base-Base interactions energy: -412.961
where: short stacking energy: -174.488
Base-Backbone interact. energy: -0.784
local terms energy: -191.864759
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -52.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -561.934918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.934918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.934918 (E_RNA)
where:
Base-Base interactions energy: -368.446
where: short stacking energy: -163.343
Base-Backbone interact. energy: -0.574
local terms energy: -192.914921
where:
bonds (distance) C4'-P energy: -33.976
bonds (distance) P-C4' energy: -39.457
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -52.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -520.396820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.396820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.396820 (E_RNA)
where:
Base-Base interactions energy: -349.150
where: short stacking energy: -157.672
Base-Backbone interact. energy: -0.729
local terms energy: -170.518166
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -22.970
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -432.828295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.828295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.828295 (E_RNA)
where:
Base-Base interactions energy: -283.035
where: short stacking energy: -113.845
Base-Backbone interact. energy: -0.206
local terms energy: -149.587131
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -29.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -279.637871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.637871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.637871 (E_RNA)
where:
Base-Base interactions energy: -131.376
where: short stacking energy: -83.064
Base-Backbone interact. energy: -2.505
local terms energy: -145.756796
where:
bonds (distance) C4'-P energy: -30.078
bonds (distance) P-C4' energy: -40.060
flat angles C4'-P-C4' energy: -36.445
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -195.631142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.631142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631142 (E_RNA)
where:
Base-Base interactions energy: -78.502
where: short stacking energy: -71.837
Base-Backbone interact. energy: 0.307
local terms energy: -117.435478
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -172.891444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.891444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.891444 (E_RNA)
where:
Base-Base interactions energy: -70.382
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.592
local terms energy: -101.918286
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -36.750
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: 4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -681.050786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.050786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.050786 (E_RNA)
where:
Base-Base interactions energy: -467.794
where: short stacking energy: -195.136
Base-Backbone interact. energy: 0.692
local terms energy: -213.948479
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -42.874
flat angles C4'-P-C4' energy: -46.385
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -64.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -626.955408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.955408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.955408 (E_RNA)
where:
Base-Base interactions energy: -409.890
where: short stacking energy: -187.787
Base-Backbone interact. energy: -0.018
local terms energy: -217.046706
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -56.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -653.805867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.805867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.805867 (E_RNA)
where:
Base-Base interactions energy: -432.012
where: short stacking energy: -208.009
Base-Backbone interact. energy: -1.122
local terms energy: -220.672432
where:
bonds (distance) C4'-P energy: -43.202
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -65.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -577.808009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.808009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.808009 (E_RNA)
where:
Base-Base interactions energy: -378.040
where: short stacking energy: -165.547
Base-Backbone interact. energy: -0.472
local terms energy: -199.296287
where:
bonds (distance) C4'-P energy: -35.943
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -58.790
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: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -576.364338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.364338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.364338 (E_RNA)
where:
Base-Base interactions energy: -381.893
where: short stacking energy: -149.222
Base-Backbone interact. energy: -1.474
local terms energy: -192.997381
where:
bonds (distance) C4'-P energy: -34.842
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -44.551
flat angles P-C4'-P energy: -30.658
tors. eta vs tors. theta energy: -48.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -512.063601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.063601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.063601 (E_RNA)
where:
Base-Base interactions energy: -333.446
where: short stacking energy: -142.384
Base-Backbone interact. energy: -1.331
local terms energy: -177.286362
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -41.792
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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -376.715845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.715845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.715845 (E_RNA)
where:
Base-Base interactions energy: -224.071
where: short stacking energy: -109.320
Base-Backbone interact. energy: -1.961
local terms energy: -150.683685
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -38.561
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -285.150429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.150429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.150429 (E_RNA)
where:
Base-Base interactions energy: -147.520
where: short stacking energy: -60.573
Base-Backbone interact. energy: 1.269
local terms energy: -138.899331
where:
bonds (distance) C4'-P energy: -35.687
bonds (distance) P-C4' energy: -45.542
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -178.982141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.982141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.982141 (E_RNA)
where:
Base-Base interactions energy: -66.623
where: short stacking energy: -45.363
Base-Backbone interact. energy: 0.988
local terms energy: -113.347735
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -41.488
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: 6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -170.591550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.591550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.591550 (E_RNA)
where:
Base-Base interactions energy: -62.691
where: short stacking energy: -44.770
Base-Backbone interact. energy: 1.822
local terms energy: -109.723088
where:
bonds (distance) C4'-P energy: -37.297
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: 6.726
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: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -682.063848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.063848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.063848 (E_RNA)
where:
Base-Base interactions energy: -459.147
where: short stacking energy: -199.450
Base-Backbone interact. energy: -0.487
local terms energy: -222.429491
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -39.649
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -67.544
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: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -642.872104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.872104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.872104 (E_RNA)
where:
Base-Base interactions energy: -421.182
where: short stacking energy: -199.238
Base-Backbone interact. energy: 0.098
local terms energy: -221.787747
where:
bonds (distance) C4'-P energy: -43.562
bonds (distance) P-C4' energy: -42.593
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -30.220
tors. eta vs tors. theta energy: -61.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -647.258424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.258424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.258424 (E_RNA)
where:
Base-Base interactions energy: -438.303
where: short stacking energy: -196.164
Base-Backbone interact. energy: -0.224
local terms energy: -208.730879
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -41.925
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -62.685
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -578.967959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.967959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.967959 (E_RNA)
where:
Base-Base interactions energy: -395.693
where: short stacking energy: -181.717
Base-Backbone interact. energy: -0.246
local terms energy: -183.029250
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -54.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -573.946620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.946620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.946620 (E_RNA)
where:
Base-Base interactions energy: -394.466
where: short stacking energy: -165.780
Base-Backbone interact. energy: 0.793
local terms energy: -180.272774
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -47.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -523.026207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.026207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.026207 (E_RNA)
where:
Base-Base interactions energy: -341.611
where: short stacking energy: -142.745
Base-Backbone interact. energy: 1.008
local terms energy: -182.422690
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -43.388
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -36.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -422.330383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.330383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.330383 (E_RNA)
where:
Base-Base interactions energy: -259.667
where: short stacking energy: -110.676
Base-Backbone interact. energy: -1.474
local terms energy: -161.189290
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -38.009
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -284.443477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.443477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.443477 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -76.170
Base-Backbone interact. energy: -0.065
local terms energy: -147.429003
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -206.061554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.061554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.061554 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -59.968
Base-Backbone interact. energy: 0.536
local terms energy: -128.643945
where:
bonds (distance) C4'-P energy: -34.490
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -172.631035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631035 (E_RNA)
where:
Base-Base interactions energy: -57.094
where: short stacking energy: -54.625
Base-Backbone interact. energy: 1.210
local terms energy: -116.747135
where:
bonds (distance) C4'-P energy: -40.581
bonds (distance) P-C4' energy: -42.532
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -678.559689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.559689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.559689 (E_RNA)
where:
Base-Base interactions energy: -454.696
where: short stacking energy: -202.788
Base-Backbone interact. energy: -1.978
local terms energy: -221.885556
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -66.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -665.722562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.722562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.722562 (E_RNA)
where:
Base-Base interactions energy: -443.954
where: short stacking energy: -194.921
Base-Backbone interact. energy: -1.503
local terms energy: -220.265446
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -43.118
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -63.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -624.231216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.231216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.231216 (E_RNA)
where:
Base-Base interactions energy: -425.312
where: short stacking energy: -193.204
Base-Backbone interact. energy: -0.762
local terms energy: -198.157144
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -40.415
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -59.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -590.456904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.456904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.456904 (E_RNA)
where:
Base-Base interactions energy: -400.653
where: short stacking energy: -168.455
Base-Backbone interact. energy: -1.165
local terms energy: -188.639695
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -569.127406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.127406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.127406 (E_RNA)
where:
Base-Base interactions energy: -373.171
where: short stacking energy: -172.194
Base-Backbone interact. energy: -1.071
local terms energy: -194.885965
where:
bonds (distance) C4'-P energy: -37.807
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -54.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -554.312454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.312454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.312454 (E_RNA)
where:
Base-Base interactions energy: -368.529
where: short stacking energy: -164.473
Base-Backbone interact. energy: -0.251
local terms energy: -185.532295
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: -49.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -376.134432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.134432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.134432 (E_RNA)
where:
Base-Base interactions energy: -228.807
where: short stacking energy: -99.983
Base-Backbone interact. energy: -2.478
local terms energy: -144.849000
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -20.232
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: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -282.517517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.517517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.517517 (E_RNA)
where:
Base-Base interactions energy: -148.724
where: short stacking energy: -75.667
Base-Backbone interact. energy: -0.460
local terms energy: -133.333787
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -187.250385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.250385 (E_RNA)
where:
Base-Base interactions energy: -75.382
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.437
local terms energy: -111.431198
where:
bonds (distance) C4'-P energy: -37.428
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: 2.225
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: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -184.126779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.126779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.126779 (E_RNA)
where:
Base-Base interactions energy: -62.112
where: short stacking energy: -57.479
Base-Backbone interact. energy: -0.256
local terms energy: -121.758023
where:
bonds (distance) C4'-P energy: -40.146
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -675.314059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.314059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.314059 (E_RNA)
where:
Base-Base interactions energy: -455.878
where: short stacking energy: -213.314
Base-Backbone interact. energy: -0.477
local terms energy: -218.959421
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -42.007
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -62.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -656.224225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.224225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.224225 (E_RNA)
where:
Base-Base interactions energy: -435.407
where: short stacking energy: -192.732
Base-Backbone interact. energy: -1.613
local terms energy: -219.203401
where:
bonds (distance) C4'-P energy: -43.603
bonds (distance) P-C4' energy: -39.767
flat angles C4'-P-C4' energy: -42.226
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -61.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -626.600114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.600114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.600114 (E_RNA)
where:
Base-Base interactions energy: -420.405
where: short stacking energy: -189.175
Base-Backbone interact. energy: -0.019
local terms energy: -206.176035
where:
bonds (distance) C4'-P energy: -32.327
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -62.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -593.449822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.449822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.449822 (E_RNA)
where:
Base-Base interactions energy: -391.305
where: short stacking energy: -175.939
Base-Backbone interact. energy: 0.074
local terms energy: -202.218291
where:
bonds (distance) C4'-P energy: -40.188
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -43.776
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -58.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -570.244109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.244109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.244109 (E_RNA)
where:
Base-Base interactions energy: -380.924
where: short stacking energy: -167.693
Base-Backbone interact. energy: -1.406
local terms energy: -187.913771
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -43.109
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -49.488
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -557.582508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.582508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.582508 (E_RNA)
where:
Base-Base interactions energy: -358.215
where: short stacking energy: -161.693
Base-Backbone interact. energy: -0.723
local terms energy: -198.645032
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -46.719
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -55.497
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: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -435.579288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.579288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.579288 (E_RNA)
where:
Base-Base interactions energy: -290.854
where: short stacking energy: -121.401
Base-Backbone interact. energy: 0.111
local terms energy: -144.835422
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -276.420615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.420615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.420615 (E_RNA)
where:
Base-Base interactions energy: -147.628
where: short stacking energy: -96.699
Base-Backbone interact. energy: -0.309
local terms energy: -128.483387
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -30.342
flat angles C4'-P-C4' energy: -38.188
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -195.184031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184031 (E_RNA)
where:
Base-Base interactions energy: -77.005
where: short stacking energy: -60.197
Base-Backbone interact. energy: 2.038
local terms energy: -120.216788
where:
bonds (distance) C4'-P energy: -41.057
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -161.990391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.990391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.990391 (E_RNA)
where:
Base-Base interactions energy: -48.841
where: short stacking energy: -40.662
Base-Backbone interact. energy: -1.040
local terms energy: -112.108994
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: 3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -682.327947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.327947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.327947 (E_RNA)
where:
Base-Base interactions energy: -448.816
where: short stacking energy: -212.082
Base-Backbone interact. energy: -1.304
local terms energy: -232.207879
where:
bonds (distance) C4'-P energy: -43.075
bonds (distance) P-C4' energy: -40.734
flat angles C4'-P-C4' energy: -49.756
flat angles P-C4'-P energy: -37.443
tors. eta vs tors. theta energy: -61.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -655.853523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.853523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.853523 (E_RNA)
where:
Base-Base interactions energy: -424.474
where: short stacking energy: -199.756
Base-Backbone interact. energy: 0.879
local terms energy: -232.257728
where:
bonds (distance) C4'-P energy: -40.166
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -45.317
flat angles P-C4'-P energy: -36.620
tors. eta vs tors. theta energy: -63.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -614.013480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.013480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.013480 (E_RNA)
where:
Base-Base interactions energy: -410.945
where: short stacking energy: -183.340
Base-Backbone interact. energy: -0.278
local terms energy: -202.790811
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -31.091
flat angles C4'-P-C4' energy: -46.814
flat angles P-C4'-P energy: -31.190
tors. eta vs tors. theta energy: -54.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -587.497180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.497180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.497180 (E_RNA)
where:
Base-Base interactions energy: -386.392
where: short stacking energy: -167.290
Base-Backbone interact. energy: -0.903
local terms energy: -200.202492
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -40.482
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -54.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -562.965853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.965853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.965853 (E_RNA)
where:
Base-Base interactions energy: -372.366
where: short stacking energy: -170.992
Base-Backbone interact. energy: -0.569
local terms energy: -190.031096
where:
bonds (distance) C4'-P energy: -39.430
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -39.314
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -545.994157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.994157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.994157 (E_RNA)
where:
Base-Base interactions energy: -363.547
where: short stacking energy: -160.918
Base-Backbone interact. energy: -0.433
local terms energy: -182.013724
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -40.782
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -45.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -408.546158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.546158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.546158 (E_RNA)
where:
Base-Base interactions energy: -242.303
where: short stacking energy: -100.601
Base-Backbone interact. energy: -0.545
local terms energy: -165.697993
where:
bonds (distance) C4'-P energy: -48.442
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -302.118406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.118406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.118406 (E_RNA)
where:
Base-Base interactions energy: -161.609
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.415
local terms energy: -140.094929
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -37.594
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -189.583711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.583711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.583711 (E_RNA)
where:
Base-Base interactions energy: -71.753
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.716
local terms energy: -117.115248
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -43.717
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: 3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -189.806167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.806167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.806167 (E_RNA)
where:
Base-Base interactions energy: -60.731
where: short stacking energy: -35.774
Base-Backbone interact. energy: -1.070
local terms energy: -128.005787
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -42.981
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -19.101
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: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -676.948303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.948303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.948303 (E_RNA)
where:
Base-Base interactions energy: -449.992
where: short stacking energy: -202.971
Base-Backbone interact. energy: -0.659
local terms energy: -226.297404
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -47.941
flat angles P-C4'-P energy: -29.665
tors. eta vs tors. theta energy: -67.655
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: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -661.803458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.803458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.803458 (E_RNA)
where:
Base-Base interactions energy: -436.104
where: short stacking energy: -205.729
Base-Backbone interact. energy: -0.375
local terms energy: -225.324490
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -39.821
flat angles C4'-P-C4' energy: -45.207
flat angles P-C4'-P energy: -30.520
tors. eta vs tors. theta energy: -67.147
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -617.463120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.463120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.463120 (E_RNA)
where:
Base-Base interactions energy: -406.057
where: short stacking energy: -180.318
Base-Backbone interact. energy: -0.108
local terms energy: -211.298332
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -47.026
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -55.401
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: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -602.141924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.141924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.141924 (E_RNA)
where:
Base-Base interactions energy: -405.818
where: short stacking energy: -160.690
Base-Backbone interact. energy: -0.412
local terms energy: -195.911826
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -39.568
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -56.965
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: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -547.092276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.092276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.092276 (E_RNA)
where:
Base-Base interactions energy: -361.771
where: short stacking energy: -160.925
Base-Backbone interact. energy: -0.415
local terms energy: -184.905806
where:
bonds (distance) C4'-P energy: -36.176
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -44.610
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -41.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -551.890238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.890238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.890238 (E_RNA)
where:
Base-Base interactions energy: -366.383
where: short stacking energy: -158.761
Base-Backbone interact. energy: -0.418
local terms energy: -185.088807
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -32.541
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -50.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -415.234483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.234483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.234483 (E_RNA)
where:
Base-Base interactions energy: -264.799
where: short stacking energy: -113.920
Base-Backbone interact. energy: -1.277
local terms energy: -149.158440
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -40.142
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -311.437919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.437919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.437919 (E_RNA)
where:
Base-Base interactions energy: -176.151
where: short stacking energy: -77.413
Base-Backbone interact. energy: -1.414
local terms energy: -133.873246
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -184.093945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.093945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.093945 (E_RNA)
where:
Base-Base interactions energy: -56.376
where: short stacking energy: -51.570
Base-Backbone interact. energy: 1.128
local terms energy: -128.846144
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -27.954
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -186.115280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115280 (E_RNA)
where:
Base-Base interactions energy: -59.030
where: short stacking energy: -49.664
Base-Backbone interact. energy: -0.448
local terms energy: -126.637374
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -40.273
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -666.779275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.779275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.779275 (E_RNA)
where:
Base-Base interactions energy: -445.338
where: short stacking energy: -204.192
Base-Backbone interact. energy: -0.750
local terms energy: -220.690846
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -47.640
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -67.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -676.401382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.401382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.401382 (E_RNA)
where:
Base-Base interactions energy: -464.338
where: short stacking energy: -196.725
Base-Backbone interact. energy: -2.174
local terms energy: -209.889115
where:
bonds (distance) C4'-P energy: -42.654
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -39.113
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -63.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -615.033660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.033660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.033660 (E_RNA)
where:
Base-Base interactions energy: -417.162
where: short stacking energy: -185.386
Base-Backbone interact. energy: -0.007
local terms energy: -197.865144
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -42.563
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -25.679
tors. eta vs tors. theta energy: -58.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -579.924325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.924325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.924325 (E_RNA)
where:
Base-Base interactions energy: -384.981
where: short stacking energy: -171.526
Base-Backbone interact. energy: 0.376
local terms energy: -195.320242
where:
bonds (distance) C4'-P energy: -42.461
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -46.990
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -47.199
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: 199
Temperature: 1.100000
Total energy: -593.530455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.530455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.530455 (E_RNA)
where:
Base-Base interactions energy: -384.277
where: short stacking energy: -160.258
Base-Backbone interact. energy: -0.489
local terms energy: -208.764237
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -40.495
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -58.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -532.101812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.101812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.101812 (E_RNA)
where:
Base-Base interactions energy: -352.745
where: short stacking energy: -158.782
Base-Backbone interact. energy: -0.699
local terms energy: -178.657949
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -47.782
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: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -430.083079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.083079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.083079 (E_RNA)
where:
Base-Base interactions energy: -271.077
where: short stacking energy: -120.654
Base-Backbone interact. energy: -1.080
local terms energy: -157.925944
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -292.086137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.086137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.086137 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -93.655
Base-Backbone interact. energy: 0.989
local terms energy: -135.713616
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -38.369
flat angles C4'-P-C4' energy: -36.621
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -201.337297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.337297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.337297 (E_RNA)
where:
Base-Base interactions energy: -89.860
where: short stacking energy: -60.732
Base-Backbone interact. energy: 1.206
local terms energy: -112.684021
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -35.187
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: 1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -175.344772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.344772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.344772 (E_RNA)
where:
Base-Base interactions energy: -54.932
where: short stacking energy: -39.895
Base-Backbone interact. energy: -0.542
local terms energy: -119.870642
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: 3.717
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: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -670.381048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.381048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.381048 (E_RNA)
where:
Base-Base interactions energy: -445.131
where: short stacking energy: -211.166
Base-Backbone interact. energy: -0.924
local terms energy: -224.326390
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -65.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -651.117430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.117430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.117430 (E_RNA)
where:
Base-Base interactions energy: -429.730
where: short stacking energy: -201.359
Base-Backbone interact. energy: -0.140
local terms energy: -221.247222
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -48.844
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -68.927
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: 200
Temperature: 1.000000
Total energy: -640.385934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.385934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.385934 (E_RNA)
where:
Base-Base interactions energy: -432.988
where: short stacking energy: -199.065
Base-Backbone interact. energy: -0.082
local terms energy: -207.316418
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -37.206
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -58.282
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: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -580.816896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.816896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.816896 (E_RNA)
where:
Base-Base interactions energy: -378.060
where: short stacking energy: -184.753
Base-Backbone interact. energy: -0.127
local terms energy: -202.630032
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -39.289
flat angles C4'-P-C4' energy: -41.383
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -54.093
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -574.691008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.691008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.691008 (E_RNA)
where:
Base-Base interactions energy: -377.455
where: short stacking energy: -157.681
Base-Backbone interact. energy: 0.315
local terms energy: -197.550529
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -38.580
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -50.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -553.993972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.993972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.993972 (E_RNA)
where:
Base-Base interactions energy: -367.737
where: short stacking energy: -159.996
Base-Backbone interact. energy: -0.272
local terms energy: -185.985623
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -39.904
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -48.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -452.786030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.786030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.786030 (E_RNA)
where:
Base-Base interactions energy: -291.259
where: short stacking energy: -147.501
Base-Backbone interact. energy: -1.319
local terms energy: -160.207053
where:
bonds (distance) C4'-P energy: -35.913
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -40.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -310.706351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.706351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.706351 (E_RNA)
where:
Base-Base interactions energy: -162.896
where: short stacking energy: -77.987
Base-Backbone interact. energy: -0.988
local terms energy: -146.822617
where:
bonds (distance) C4'-P energy: -35.189
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -198.780655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.780655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.780655 (E_RNA)
where:
Base-Base interactions energy: -91.616
where: short stacking energy: -66.007
Base-Backbone interact. energy: -1.112
local terms energy: -106.053067
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -203.687112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687112 (E_RNA)
where:
Base-Base interactions energy: -95.031
where: short stacking energy: -74.270
Base-Backbone interact. energy: 3.039
local terms energy: -111.694648
where:
bonds (distance) C4'-P energy: -33.046
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -8.251
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: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -673.258876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.258876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.258876 (E_RNA)
where:
Base-Base interactions energy: -448.907
where: short stacking energy: -209.033
Base-Backbone interact. energy: -0.356
local terms energy: -223.995895
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -46.382
flat angles P-C4'-P energy: -34.076
tors. eta vs tors. theta energy: -66.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -641.305698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.305698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.305698 (E_RNA)
where:
Base-Base interactions energy: -430.952
where: short stacking energy: -192.829
Base-Backbone interact. energy: -0.037
local terms energy: -210.317031
where:
bonds (distance) C4'-P energy: -36.583
bonds (distance) P-C4' energy: -36.653
flat angles C4'-P-C4' energy: -45.282
flat angles P-C4'-P energy: -32.243
tors. eta vs tors. theta energy: -59.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -616.237434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.237434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.237434 (E_RNA)
where:
Base-Base interactions energy: -391.072
where: short stacking energy: -177.405
Base-Backbone interact. energy: 0.628
local terms energy: -225.793886
where:
bonds (distance) C4'-P energy: -42.438
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -35.851
tors. eta vs tors. theta energy: -59.796
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: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -578.909385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.909385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.909385 (E_RNA)
where:
Base-Base interactions energy: -374.643
where: short stacking energy: -168.362
Base-Backbone interact. energy: -0.866
local terms energy: -203.401028
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -41.370
flat angles C4'-P-C4' energy: -40.219
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -52.545
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: 201
Temperature: 1.100000
Total energy: -575.632936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.632936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.632936 (E_RNA)
where:
Base-Base interactions energy: -401.229
where: short stacking energy: -153.532
Base-Backbone interact. energy: -0.710
local terms energy: -173.694671
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -49.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -540.022622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.022622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.022622 (E_RNA)
where:
Base-Base interactions energy: -366.132
where: short stacking energy: -159.018
Base-Backbone interact. energy: -0.087
local terms energy: -173.804508
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -42.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -428.861684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.861684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.861684 (E_RNA)
where:
Base-Base interactions energy: -272.790
where: short stacking energy: -120.834
Base-Backbone interact. energy: -1.610
local terms energy: -154.461345
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -36.354
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -294.603627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.603627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.603627 (E_RNA)
where:
Base-Base interactions energy: -160.690
where: short stacking energy: -74.384
Base-Backbone interact. energy: -2.874
local terms energy: -131.040065
where:
bonds (distance) C4'-P energy: -35.266
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -198.091285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.091285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091285 (E_RNA)
where:
Base-Base interactions energy: -69.004
where: short stacking energy: -60.393
Base-Backbone interact. energy: 1.577
local terms energy: -130.663912
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -41.446
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -21.299
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: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -163.981789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.981789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.981789 (E_RNA)
where:
Base-Base interactions energy: -58.573
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.339
local terms energy: -105.069607
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -668.406807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.406807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.406807 (E_RNA)
where:
Base-Base interactions energy: -454.946
where: short stacking energy: -213.266
Base-Backbone interact. energy: -1.122
local terms energy: -212.339257
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -39.929
flat angles C4'-P-C4' energy: -42.897
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -67.294
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: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -648.566175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.566175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.566175 (E_RNA)
where:
Base-Base interactions energy: -438.997
where: short stacking energy: -202.100
Base-Backbone interact. energy: -0.025
local terms energy: -209.543842
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -39.274
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -63.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -634.441384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.441384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.441384 (E_RNA)
where:
Base-Base interactions energy: -419.371
where: short stacking energy: -181.662
Base-Backbone interact. energy: -0.364
local terms energy: -214.707200
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -61.496
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -560.497956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.497956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.497956 (E_RNA)
where:
Base-Base interactions energy: -386.286
where: short stacking energy: -181.377
Base-Backbone interact. energy: -0.451
local terms energy: -173.760921
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -50.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -559.312822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.312822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.312822 (E_RNA)
where:
Base-Base interactions energy: -361.166
where: short stacking energy: -172.829
Base-Backbone interact. energy: -0.068
local terms energy: -198.078914
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -41.258
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -50.371
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: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -557.385635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.385635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.385635 (E_RNA)
where:
Base-Base interactions energy: -394.374
where: short stacking energy: -148.738
Base-Backbone interact. energy: -0.169
local terms energy: -162.842022
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -48.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -431.385183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.385183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.385183 (E_RNA)
where:
Base-Base interactions energy: -280.781
where: short stacking energy: -117.138
Base-Backbone interact. energy: 0.892
local terms energy: -151.495974
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -28.154
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: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -293.884391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.884391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.884391 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -88.435
Base-Backbone interact. energy: -2.788
local terms energy: -138.009513
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -193.626778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.626778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.626778 (E_RNA)
where:
Base-Base interactions energy: -81.812
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.563
local terms energy: -111.251564
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -167.673184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.673184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.673184 (E_RNA)
where:
Base-Base interactions energy: -57.618
where: short stacking energy: -51.603
Base-Backbone interact. energy: -0.699
local terms energy: -109.355457
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -38.195
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -679.094681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.094681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.094681 (E_RNA)
where:
Base-Base interactions energy: -448.972
where: short stacking energy: -211.881
Base-Backbone interact. energy: -1.884
local terms energy: -228.238172
where:
bonds (distance) C4'-P energy: -40.865
bonds (distance) P-C4' energy: -40.824
flat angles C4'-P-C4' energy: -44.653
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: -67.483
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: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -641.585446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.585446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.585446 (E_RNA)
where:
Base-Base interactions energy: -431.096
where: short stacking energy: -195.676
Base-Backbone interact. energy: 0.875
local terms energy: -211.364410
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -47.102
flat angles P-C4'-P energy: -35.403
tors. eta vs tors. theta energy: -62.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -617.247499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.247499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.247499 (E_RNA)
where:
Base-Base interactions energy: -408.179
where: short stacking energy: -182.004
Base-Backbone interact. energy: -0.129
local terms energy: -208.938558
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -30.423
tors. eta vs tors. theta energy: -57.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -592.071928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.071928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.071928 (E_RNA)
where:
Base-Base interactions energy: -403.675
where: short stacking energy: -176.524
Base-Backbone interact. energy: -0.284
local terms energy: -188.112526
where:
bonds (distance) C4'-P energy: -35.640
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -49.182
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: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -553.697210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.697210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.697210 (E_RNA)
where:
Base-Base interactions energy: -370.149
where: short stacking energy: -163.366
Base-Backbone interact. energy: -1.496
local terms energy: -182.052598
where:
bonds (distance) C4'-P energy: -44.269
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -41.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -544.323592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.323592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.323592 (E_RNA)
where:
Base-Base interactions energy: -362.226
where: short stacking energy: -157.127
Base-Backbone interact. energy: -0.134
local terms energy: -181.962937
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -48.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -418.293459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.293459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.293459 (E_RNA)
where:
Base-Base interactions energy: -272.923
where: short stacking energy: -123.208
Base-Backbone interact. energy: -0.339
local terms energy: -145.030996
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -27.542
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: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -322.456279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.456279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.456279 (E_RNA)
where:
Base-Base interactions energy: -189.046
where: short stacking energy: -96.579
Base-Backbone interact. energy: -0.279
local terms energy: -133.130945
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -15.886
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: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -179.663361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.663361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.663361 (E_RNA)
where:
Base-Base interactions energy: -48.968
where: short stacking energy: -48.255
Base-Backbone interact. energy: -1.409
local terms energy: -129.285613
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -40.865
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -175.926390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.926390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.926390 (E_RNA)
where:
Base-Base interactions energy: -51.933
where: short stacking energy: -41.273
Base-Backbone interact. energy: -0.523
local terms energy: -123.470309
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -36.513
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: 6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -677.201659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.201659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.201659 (E_RNA)
where:
Base-Base interactions energy: -442.280
where: short stacking energy: -214.246
Base-Backbone interact. energy: 0.403
local terms energy: -235.324197
where:
bonds (distance) C4'-P energy: -43.657
bonds (distance) P-C4' energy: -39.652
flat angles C4'-P-C4' energy: -49.941
flat angles P-C4'-P energy: -33.655
tors. eta vs tors. theta energy: -68.419
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: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -646.750138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.750138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.750138 (E_RNA)
where:
Base-Base interactions energy: -436.011
where: short stacking energy: -208.128
Base-Backbone interact. energy: -0.089
local terms energy: -210.650138
where:
bonds (distance) C4'-P energy: -41.583
bonds (distance) P-C4' energy: -38.927
flat angles C4'-P-C4' energy: -40.291
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -61.160
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: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -602.745049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.745049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.745049 (E_RNA)
where:
Base-Base interactions energy: -393.423
where: short stacking energy: -182.984
Base-Backbone interact. energy: -0.530
local terms energy: -208.791575
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -54.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -609.286742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.286742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.286742 (E_RNA)
where:
Base-Base interactions energy: -406.440
where: short stacking energy: -187.002
Base-Backbone interact. energy: -0.945
local terms energy: -201.901735
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -58.549
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -575.508058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.508058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.508058 (E_RNA)
where:
Base-Base interactions energy: -382.990
where: short stacking energy: -169.270
Base-Backbone interact. energy: -0.206
local terms energy: -192.311943
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -48.067
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -50.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -533.536093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.536093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.536093 (E_RNA)
where:
Base-Base interactions energy: -352.754
where: short stacking energy: -153.554
Base-Backbone interact. energy: 0.133
local terms energy: -180.914527
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -459.400278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.400278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.400278 (E_RNA)
where:
Base-Base interactions energy: -294.746
where: short stacking energy: -129.325
Base-Backbone interact. energy: -0.842
local terms energy: -163.811989
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -20.695
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: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -291.912243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.912243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.912243 (E_RNA)
where:
Base-Base interactions energy: -158.341
where: short stacking energy: -91.734
Base-Backbone interact. energy: -0.141
local terms energy: -133.430631
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -197.570812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.570812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.570812 (E_RNA)
where:
Base-Base interactions energy: -76.872
where: short stacking energy: -50.911
Base-Backbone interact. energy: 1.021
local terms energy: -121.720157
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: 2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -187.635857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.635857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.635857 (E_RNA)
where:
Base-Base interactions energy: -67.888
where: short stacking energy: -46.515
Base-Backbone interact. energy: -0.919
local terms energy: -118.829344
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -42.195
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: 8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -684.786372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.786372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.786372 (E_RNA)
where:
Base-Base interactions energy: -461.311
where: short stacking energy: -211.553
Base-Backbone interact. energy: -1.197
local terms energy: -222.277704
where:
bonds (distance) C4'-P energy: -44.914
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -68.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -643.750019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.750019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.750019 (E_RNA)
where:
Base-Base interactions energy: -424.723
where: short stacking energy: -189.641
Base-Backbone interact. energy: -0.030
local terms energy: -218.996807
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -40.911
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -57.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -589.752299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.752299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.752299 (E_RNA)
where:
Base-Base interactions energy: -386.743
where: short stacking energy: -177.234
Base-Backbone interact. energy: -0.174
local terms energy: -202.836159
where:
bonds (distance) C4'-P energy: -36.051
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -45.140
flat angles P-C4'-P energy: -31.423
tors. eta vs tors. theta energy: -54.532
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -607.475291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.475291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.475291 (E_RNA)
where:
Base-Base interactions energy: -410.051
where: short stacking energy: -179.242
Base-Backbone interact. energy: 0.643
local terms energy: -198.067674
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -40.618
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: -60.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -573.756475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.756475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.756475 (E_RNA)
where:
Base-Base interactions energy: -386.655
where: short stacking energy: -179.473
Base-Backbone interact. energy: -0.959
local terms energy: -186.142234
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -42.358
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -61.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -542.859407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.859407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.859407 (E_RNA)
where:
Base-Base interactions energy: -360.785
where: short stacking energy: -173.878
Base-Backbone interact. energy: 0.287
local terms energy: -182.361476
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -51.799
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -420.705126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.705126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.705126 (E_RNA)
where:
Base-Base interactions energy: -270.644
where: short stacking energy: -114.037
Base-Backbone interact. energy: -0.805
local terms energy: -149.256176
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -23.153
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: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -292.840619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.840619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.840619 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -88.496
Base-Backbone interact. energy: 0.604
local terms energy: -133.491341
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -32.396
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -185.955285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.955285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.955285 (E_RNA)
where:
Base-Base interactions energy: -69.853
where: short stacking energy: -56.903
Base-Backbone interact. energy: -1.544
local terms energy: -114.558339
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -37.397
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -193.016030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.016030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.016030 (E_RNA)
where:
Base-Base interactions energy: -91.318
where: short stacking energy: -33.817
Base-Backbone interact. energy: -0.954
local terms energy: -100.743252
where:
bonds (distance) C4'-P energy: -35.943
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -26.933
flat angles P-C4'-P energy: -15.455
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: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -683.869714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.869714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.869714 (E_RNA)
where:
Base-Base interactions energy: -458.816
where: short stacking energy: -218.857
Base-Backbone interact. energy: -1.900
local terms energy: -223.153796
where:
bonds (distance) C4'-P energy: -42.530
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -46.025
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -66.803
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: 206
Temperature: 0.950000
Total energy: -646.477339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.477339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.477339 (E_RNA)
where:
Base-Base interactions energy: -432.873
where: short stacking energy: -190.698
Base-Backbone interact. energy: -0.069
local terms energy: -213.535379
where:
bonds (distance) C4'-P energy: -38.272
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -43.569
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -64.251
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -596.530153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.530153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.530153 (E_RNA)
where:
Base-Base interactions energy: -402.144
where: short stacking energy: -158.379
Base-Backbone interact. energy: 1.116
local terms energy: -195.502317
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -41.823
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -28.316
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: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -600.177308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.177308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.177308 (E_RNA)
where:
Base-Base interactions energy: -406.079
where: short stacking energy: -184.723
Base-Backbone interact. energy: 0.935
local terms energy: -195.033449
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -557.398158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.398158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.398158 (E_RNA)
where:
Base-Base interactions energy: -374.710
where: short stacking energy: -165.476
Base-Backbone interact. energy: -0.388
local terms energy: -182.300579
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -46.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -518.957581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.957581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.957581 (E_RNA)
where:
Base-Base interactions energy: -330.646
where: short stacking energy: -151.762
Base-Backbone interact. energy: -0.311
local terms energy: -188.000925
where:
bonds (distance) C4'-P energy: -39.551
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -50.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -428.747668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.747668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.747668 (E_RNA)
where:
Base-Base interactions energy: -269.325
where: short stacking energy: -119.824
Base-Backbone interact. energy: -0.712
local terms energy: -158.710698
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -34.670
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -271.786551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.786551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.786551 (E_RNA)
where:
Base-Base interactions energy: -144.671
where: short stacking energy: -87.115
Base-Backbone interact. energy: 5.261
local terms energy: -132.376641
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -199.575091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.575091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.575091 (E_RNA)
where:
Base-Base interactions energy: -81.302
where: short stacking energy: -62.881
Base-Backbone interact. energy: -1.364
local terms energy: -116.909482
where:
bonds (distance) C4'-P energy: -34.027
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -160.185363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.185363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.185363 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -36.784
Base-Backbone interact. energy: 0.484
local terms energy: -103.645538
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: 2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -664.075707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.075707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.075707 (E_RNA)
where:
Base-Base interactions energy: -442.959
where: short stacking energy: -224.255
Base-Backbone interact. energy: -2.546
local terms energy: -218.570615
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -36.650
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -66.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -639.974366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.974366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.974366 (E_RNA)
where:
Base-Base interactions energy: -433.608
where: short stacking energy: -193.241
Base-Backbone interact. energy: -0.075
local terms energy: -206.291788
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -48.096
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -62.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -621.383391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.383391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.383391 (E_RNA)
where:
Base-Base interactions energy: -405.488
where: short stacking energy: -194.401
Base-Backbone interact. energy: -0.818
local terms energy: -215.077062
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -60.653
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: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -627.178853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.178853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.178853 (E_RNA)
where:
Base-Base interactions energy: -419.467
where: short stacking energy: -191.257
Base-Backbone interact. energy: -0.241
local terms energy: -207.471166
where:
bonds (distance) C4'-P energy: -34.857
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -30.600
tors. eta vs tors. theta energy: -63.652
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: 207
Temperature: 1.100000
Total energy: -587.542154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.542154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.542154 (E_RNA)
where:
Base-Base interactions energy: -390.947
where: short stacking energy: -173.093
Base-Backbone interact. energy: -0.879
local terms energy: -195.716079
where:
bonds (distance) C4'-P energy: -36.318
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -31.465
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: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -505.322403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.322403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.322403 (E_RNA)
where:
Base-Base interactions energy: -335.222
where: short stacking energy: -139.229
Base-Backbone interact. energy: -0.565
local terms energy: -169.535816
where:
bonds (distance) C4'-P energy: -40.848
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -36.351
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: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -416.290540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.290540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.290540 (E_RNA)
where:
Base-Base interactions energy: -260.870
where: short stacking energy: -128.469
Base-Backbone interact. energy: -1.402
local terms energy: -154.018695
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -27.840
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: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -184.003259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.003259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.003259 (E_RNA)
where:
Base-Base interactions energy: -51.525
where: short stacking energy: -45.321
Base-Backbone interact. energy: -1.594
local terms energy: -130.884576
where:
bonds (distance) C4'-P energy: -39.221
bonds (distance) P-C4' energy: -35.742
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -224.020519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.020519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.020519 (E_RNA)
where:
Base-Base interactions energy: -114.751
where: short stacking energy: -45.398
Base-Backbone interact. energy: -0.686
local terms energy: -108.583400
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: 2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -177.210135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.210135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.210135 (E_RNA)
where:
Base-Base interactions energy: -70.516
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.847
local terms energy: -105.847254
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -39.162
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -650.946472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.946472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.946472 (E_RNA)
where:
Base-Base interactions energy: -426.197
where: short stacking energy: -200.073
Base-Backbone interact. energy: 2.367
local terms energy: -227.115730
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -48.121
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -56.922
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: 208
Temperature: 0.950000
Total energy: -654.965477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.965477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.965477 (E_RNA)
where:
Base-Base interactions energy: -425.247
where: short stacking energy: -187.795
Base-Backbone interact. energy: -0.005
local terms energy: -229.714310
where:
bonds (distance) C4'-P energy: -44.219
bonds (distance) P-C4' energy: -45.003
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: -61.902
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: 208
Temperature: 1.000000
Total energy: -637.801280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.801280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.801280 (E_RNA)
where:
Base-Base interactions energy: -437.755
where: short stacking energy: -185.961
Base-Backbone interact. energy: -0.842
local terms energy: -199.204689
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -62.246
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -594.224126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.224126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.224126 (E_RNA)
where:
Base-Base interactions energy: -400.704
where: short stacking energy: -185.477
Base-Backbone interact. energy: -0.388
local terms energy: -193.132316
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -44.768
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -54.422
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: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -547.238910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.238910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.238910 (E_RNA)
where:
Base-Base interactions energy: -360.577
where: short stacking energy: -160.784
Base-Backbone interact. energy: 0.231
local terms energy: -186.892981
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -44.302
flat angles C4'-P-C4' energy: -37.069
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -42.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -525.428458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.428458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.428458 (E_RNA)
where:
Base-Base interactions energy: -356.884
where: short stacking energy: -148.443
Base-Backbone interact. energy: 0.067
local terms energy: -168.612058
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -25.908
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: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -457.746061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.746061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.746061 (E_RNA)
where:
Base-Base interactions energy: -288.423
where: short stacking energy: -112.911
Base-Backbone interact. energy: -2.484
local terms energy: -166.839169
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -42.654
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -185.803479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.803479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.803479 (E_RNA)
where:
Base-Base interactions energy: -68.849
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.408
local terms energy: -116.546328
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -174.907998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.907998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.907998 (E_RNA)
where:
Base-Base interactions energy: -63.069
where: short stacking energy: -51.191
Base-Backbone interact. energy: 0.314
local terms energy: -112.153291
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -191.114661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.114661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.114661 (E_RNA)
where:
Base-Base interactions energy: -79.882
where: short stacking energy: -54.801
Base-Backbone interact. energy: -1.733
local terms energy: -109.500352
where:
bonds (distance) C4'-P energy: -32.981
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -688.905025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.905025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.905025 (E_RNA)
where:
Base-Base interactions energy: -454.792
where: short stacking energy: -200.012
Base-Backbone interact. energy: -1.527
local terms energy: -232.586196
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -46.721
flat angles C4'-P-C4' energy: -43.479
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -65.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -641.440098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.440098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.440098 (E_RNA)
where:
Base-Base interactions energy: -423.982
where: short stacking energy: -203.349
Base-Backbone interact. energy: -0.683
local terms energy: -216.774799
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -37.044
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -61.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -623.801694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.801694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.801694 (E_RNA)
where:
Base-Base interactions energy: -426.727
where: short stacking energy: -181.972
Base-Backbone interact. energy: -0.147
local terms energy: -196.927024
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -36.416
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: -63.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -598.093043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.093043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.093043 (E_RNA)
where:
Base-Base interactions energy: -385.323
where: short stacking energy: -182.581
Base-Backbone interact. energy: -0.756
local terms energy: -212.014833
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -47.454
flat angles C4'-P-C4' energy: -42.144
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -53.932
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: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -548.774427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.774427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.774427 (E_RNA)
where:
Base-Base interactions energy: -368.909
where: short stacking energy: -152.821
Base-Backbone interact. energy: -0.727
local terms energy: -179.138021
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -41.524
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -44.188
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: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -534.555147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.555147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.555147 (E_RNA)
where:
Base-Base interactions energy: -365.375
where: short stacking energy: -140.018
Base-Backbone interact. energy: -0.971
local terms energy: -168.208754
where:
bonds (distance) C4'-P energy: -41.437
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -42.019
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -43.562
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: 209
Temperature: 1.200000
Total energy: -449.024299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.024299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.024299 (E_RNA)
where:
Base-Base interactions energy: -296.911
where: short stacking energy: -124.531
Base-Backbone interact. energy: -0.914
local terms energy: -151.198578
where:
bonds (distance) C4'-P energy: -37.655
bonds (distance) P-C4' energy: -35.958
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -212.109894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.109894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.109894 (E_RNA)
where:
Base-Base interactions energy: -86.111
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.273
local terms energy: -125.726345
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -203.797274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.797274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.797274 (E_RNA)
where:
Base-Base interactions energy: -70.462
where: short stacking energy: -47.003
Base-Backbone interact. energy: -0.277
local terms energy: -133.058591
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: 1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -180.755140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.755140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.755140 (E_RNA)
where:
Base-Base interactions energy: -53.386
where: short stacking energy: -45.844
Base-Backbone interact. energy: 1.634
local terms energy: -129.003754
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -691.315573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.315573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.315573 (E_RNA)
where:
Base-Base interactions energy: -457.158
where: short stacking energy: -199.908
Base-Backbone interact. energy: -0.753
local terms energy: -233.404098
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -47.682
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -68.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -636.084374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.084374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.084374 (E_RNA)
where:
Base-Base interactions energy: -430.729
where: short stacking energy: -181.853
Base-Backbone interact. energy: -0.265
local terms energy: -205.091182
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -60.191
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: 210
Temperature: 1.000000
Total energy: -637.392224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.392224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.392224 (E_RNA)
where:
Base-Base interactions energy: -415.355
where: short stacking energy: -190.088
Base-Backbone interact. energy: -0.481
local terms energy: -221.557166
where:
bonds (distance) C4'-P energy: -42.439
bonds (distance) P-C4' energy: -41.037
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -61.930
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: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -595.968401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.968401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.968401 (E_RNA)
where:
Base-Base interactions energy: -395.794
where: short stacking energy: -188.658
Base-Backbone interact. energy: 0.919
local terms energy: -201.093698
where:
bonds (distance) C4'-P energy: -30.007
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -40.057
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: -58.576
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: 210
Temperature: 1.100000
Total energy: -560.902318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.902318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.902318 (E_RNA)
where:
Base-Base interactions energy: -363.949
where: short stacking energy: -176.699
Base-Backbone interact. energy: -0.645
local terms energy: -196.308461
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -55.731
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -538.962614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.962614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.962614 (E_RNA)
where:
Base-Base interactions energy: -359.127
where: short stacking energy: -150.712
Base-Backbone interact. energy: 0.525
local terms energy: -180.360585
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -26.732
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: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -433.541188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.541188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.541188 (E_RNA)
where:
Base-Base interactions energy: -271.900
where: short stacking energy: -106.387
Base-Backbone interact. energy: 1.555
local terms energy: -163.196874
where:
bonds (distance) C4'-P energy: -41.804
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -200.800658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.800658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.800658 (E_RNA)
where:
Base-Base interactions energy: -62.524
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.407
local terms energy: -137.869774
where:
bonds (distance) C4'-P energy: -42.909
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -36.527
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -207.012451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.012451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.012451 (E_RNA)
where:
Base-Base interactions energy: -90.604
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.668
local terms energy: -115.740913
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -4.220
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: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -166.583583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.583583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.583583 (E_RNA)
where:
Base-Base interactions energy: -71.201
where: short stacking energy: -50.464
Base-Backbone interact. energy: 0.291
local terms energy: -95.673723
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -41.805
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: 4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -686.532997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.532997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.532997 (E_RNA)
where:
Base-Base interactions energy: -473.988
where: short stacking energy: -205.981
Base-Backbone interact. energy: -0.555
local terms energy: -211.989895
where:
bonds (distance) C4'-P energy: -31.001
bonds (distance) P-C4' energy: -41.796
flat angles C4'-P-C4' energy: -45.846
flat angles P-C4'-P energy: -32.226
tors. eta vs tors. theta energy: -61.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -646.268178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.268178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.268178 (E_RNA)
where:
Base-Base interactions energy: -431.264
where: short stacking energy: -199.845
Base-Backbone interact. energy: -0.279
local terms energy: -214.726101
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -41.378
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -56.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -626.850046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.850046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.850046 (E_RNA)
where:
Base-Base interactions energy: -410.177
where: short stacking energy: -179.875
Base-Backbone interact. energy: -0.128
local terms energy: -216.545061
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -38.916
flat angles C4'-P-C4' energy: -45.253
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -60.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -573.107350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.107350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.107350 (E_RNA)
where:
Base-Base interactions energy: -364.806
where: short stacking energy: -171.500
Base-Backbone interact. energy: -0.849
local terms energy: -207.452940
where:
bonds (distance) C4'-P energy: -39.617
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -43.253
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -51.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -565.808971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.808971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.808971 (E_RNA)
where:
Base-Base interactions energy: -387.975
where: short stacking energy: -182.125
Base-Backbone interact. energy: -0.245
local terms energy: -177.588974
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -51.602
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: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -536.815586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.815586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.815586 (E_RNA)
where:
Base-Base interactions energy: -365.913
where: short stacking energy: -149.528
Base-Backbone interact. energy: 0.728
local terms energy: -171.630665
where:
bonds (distance) C4'-P energy: -30.796
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -40.929
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -42.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -429.944170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.944170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.944170 (E_RNA)
where:
Base-Base interactions energy: -274.663
where: short stacking energy: -122.023
Base-Backbone interact. energy: -0.020
local terms energy: -155.260699
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -208.687718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.687718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.687718 (E_RNA)
where:
Base-Base interactions energy: -91.414
where: short stacking energy: -72.276
Base-Backbone interact. energy: 0.360
local terms energy: -117.633125
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -205.485084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.485084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.485084 (E_RNA)
where:
Base-Base interactions energy: -81.207
where: short stacking energy: -43.073
Base-Backbone interact. energy: -1.180
local terms energy: -123.098606
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -37.447
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -174.356387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.356387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.356387 (E_RNA)
where:
Base-Base interactions energy: -55.104
where: short stacking energy: -54.908
Base-Backbone interact. energy: 2.788
local terms energy: -122.040441
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -649.964435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.964435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.964435 (E_RNA)
where:
Base-Base interactions energy: -440.998
where: short stacking energy: -200.958
Base-Backbone interact. energy: -1.289
local terms energy: -207.677663
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -56.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -656.277431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.277431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.277431 (E_RNA)
where:
Base-Base interactions energy: -427.760
where: short stacking energy: -199.518
Base-Backbone interact. energy: -1.940
local terms energy: -226.577705
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -45.384
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -68.012
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: 212
Temperature: 1.000000
Total energy: -630.898467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.898467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.898467 (E_RNA)
where:
Base-Base interactions energy: -409.615
where: short stacking energy: -196.121
Base-Backbone interact. energy: -1.918
local terms energy: -219.365644
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -45.954
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: -62.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -576.942652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.942652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.942652 (E_RNA)
where:
Base-Base interactions energy: -392.271
where: short stacking energy: -169.912
Base-Backbone interact. energy: -0.876
local terms energy: -183.795375
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -44.102
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: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -550.243797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.243797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.243797 (E_RNA)
where:
Base-Base interactions energy: -356.696
where: short stacking energy: -160.498
Base-Backbone interact. energy: -0.207
local terms energy: -193.341280
where:
bonds (distance) C4'-P energy: -34.164
bonds (distance) P-C4' energy: -44.202
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -43.849
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: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -531.759942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.759942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.759942 (E_RNA)
where:
Base-Base interactions energy: -357.351
where: short stacking energy: -145.200
Base-Backbone interact. energy: -1.547
local terms energy: -172.861972
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -47.632
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: 212
Temperature: 1.200000
Total energy: -412.269278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.269278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.269278 (E_RNA)
where:
Base-Base interactions energy: -265.931
where: short stacking energy: -126.187
Base-Backbone interact. energy: -0.296
local terms energy: -146.042933
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -29.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -233.853806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.853806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.853806 (E_RNA)
where:
Base-Base interactions energy: -137.155
where: short stacking energy: -69.212
Base-Backbone interact. energy: 3.780
local terms energy: -100.478324
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -203.584479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584479 (E_RNA)
where:
Base-Base interactions energy: -94.323
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.987
local terms energy: -108.274370
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -181.886902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886902 (E_RNA)
where:
Base-Base interactions energy: -60.792
where: short stacking energy: -53.355
Base-Backbone interact. energy: 0.423
local terms energy: -121.518039
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -27.245
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: 0.101
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -651.171576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.171576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.171576 (E_RNA)
where:
Base-Base interactions energy: -442.555
where: short stacking energy: -201.041
Base-Backbone interact. energy: -0.349
local terms energy: -208.267544
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -38.704
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -63.154
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -634.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.626421 (E_RNA)
where:
Base-Base interactions energy: -418.939
where: short stacking energy: -194.783
Base-Backbone interact. energy: -1.467
local terms energy: -214.220283
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -33.032
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -68.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -655.029888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.029888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.029888 (E_RNA)
where:
Base-Base interactions energy: -440.508
where: short stacking energy: -183.314
Base-Backbone interact. energy: 0.575
local terms energy: -215.096620
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -45.254
flat angles C4'-P-C4' energy: -44.640
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -60.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -588.678868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.678868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.678868 (E_RNA)
where:
Base-Base interactions energy: -384.165
where: short stacking energy: -183.389
Base-Backbone interact. energy: -0.913
local terms energy: -203.600335
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -44.497
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -29.439
tors. eta vs tors. theta energy: -59.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -567.629645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.629645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.629645 (E_RNA)
where:
Base-Base interactions energy: -378.398
where: short stacking energy: -175.398
Base-Backbone interact. energy: -1.206
local terms energy: -188.025353
where:
bonds (distance) C4'-P energy: -37.504
bonds (distance) P-C4' energy: -35.780
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -51.695
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: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -500.915898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.915898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.915898 (E_RNA)
where:
Base-Base interactions energy: -323.506
where: short stacking energy: -124.755
Base-Backbone interact. energy: -1.260
local terms energy: -176.149621
where:
bonds (distance) C4'-P energy: -38.880
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -40.088
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -37.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -408.337720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.337720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.337720 (E_RNA)
where:
Base-Base interactions energy: -248.579
where: short stacking energy: -117.890
Base-Backbone interact. energy: -0.444
local terms energy: -159.314284
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -37.962
flat angles C4'-P-C4' energy: -36.047
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -230.076592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.076592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.076592 (E_RNA)
where:
Base-Base interactions energy: -110.383
where: short stacking energy: -52.576
Base-Backbone interact. energy: -0.517
local terms energy: -119.176742
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: 3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -182.682366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.682366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.682366 (E_RNA)
where:
Base-Base interactions energy: -73.066
where: short stacking energy: -48.947
Base-Backbone interact. energy: -1.155
local terms energy: -108.461889
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: 8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -187.404519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.404519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.404519 (E_RNA)
where:
Base-Base interactions energy: -70.493
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.907
local terms energy: -116.004664
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: 3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -653.943596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.943596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.943596 (E_RNA)
where:
Base-Base interactions energy: -437.448
where: short stacking energy: -190.805
Base-Backbone interact. energy: -0.278
local terms energy: -216.217715
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -46.866
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -58.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -639.708608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.708608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.708608 (E_RNA)
where:
Base-Base interactions energy: -429.786
where: short stacking energy: -193.484
Base-Backbone interact. energy: -0.759
local terms energy: -209.162983
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -39.722
flat angles C4'-P-C4' energy: -42.686
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -62.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -653.572405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.572405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.572405 (E_RNA)
where:
Base-Base interactions energy: -445.292
where: short stacking energy: -202.616
Base-Backbone interact. energy: -0.416
local terms energy: -207.865092
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -38.457
flat angles C4'-P-C4' energy: -42.280
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -64.491
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: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -590.346046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.346046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.346046 (E_RNA)
where:
Base-Base interactions energy: -391.443
where: short stacking energy: -179.267
Base-Backbone interact. energy: 1.494
local terms energy: -200.397171
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -43.276
flat angles C4'-P-C4' energy: -43.939
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -55.889
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: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -565.624947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.624947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.624947 (E_RNA)
where:
Base-Base interactions energy: -387.789
where: short stacking energy: -171.522
Base-Backbone interact. energy: -0.734
local terms energy: -177.101979
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -29.571
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -50.988
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: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -502.662331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.662331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.662331 (E_RNA)
where:
Base-Base interactions energy: -347.858
where: short stacking energy: -145.294
Base-Backbone interact. energy: -0.359
local terms energy: -154.444509
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -34.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -386.423024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.423024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.423024 (E_RNA)
where:
Base-Base interactions energy: -246.202
where: short stacking energy: -117.956
Base-Backbone interact. energy: 0.653
local terms energy: -140.874035
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -41.252
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -21.234
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: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -211.623580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.623580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.623580 (E_RNA)
where:
Base-Base interactions energy: -77.078
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.536
local terms energy: -134.010244
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -42.811
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -8.493
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -204.184543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.184543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.184543 (E_RNA)
where:
Base-Base interactions energy: -87.684
where: short stacking energy: -52.378
Base-Backbone interact. energy: 0.874
local terms energy: -117.374556
where:
bonds (distance) C4'-P energy: -36.977
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: 3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -169.432194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.432194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.432194 (E_RNA)
where:
Base-Base interactions energy: -54.676
where: short stacking energy: -44.875
Base-Backbone interact. energy: 3.261
local terms energy: -118.017616
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -37.133
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: 3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -653.670276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.670276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.670276 (E_RNA)
where:
Base-Base interactions energy: -442.109
where: short stacking energy: -204.327
Base-Backbone interact. energy: -0.411
local terms energy: -211.149989
where:
bonds (distance) C4'-P energy: -41.955
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -62.898
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: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -647.985476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.985476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.985476 (E_RNA)
where:
Base-Base interactions energy: -427.580
where: short stacking energy: -195.183
Base-Backbone interact. energy: -0.545
local terms energy: -219.861292
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -40.803
flat angles C4'-P-C4' energy: -48.226
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: -61.609
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -624.292517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.292517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.292517 (E_RNA)
where:
Base-Base interactions energy: -411.465
where: short stacking energy: -171.244
Base-Backbone interact. energy: -2.052
local terms energy: -210.775941
where:
bonds (distance) C4'-P energy: -37.220
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -46.862
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -59.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -579.398509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.398509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.398509 (E_RNA)
where:
Base-Base interactions energy: -377.587
where: short stacking energy: -178.644
Base-Backbone interact. energy: -0.132
local terms energy: -201.679041
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -39.586
flat angles C4'-P-C4' energy: -43.861
flat angles P-C4'-P energy: -28.994
tors. eta vs tors. theta energy: -54.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -552.255014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.255014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.255014 (E_RNA)
where:
Base-Base interactions energy: -368.751
where: short stacking energy: -166.784
Base-Backbone interact. energy: 0.660
local terms energy: -184.164272
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -37.662
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -43.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -518.746445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.746445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.746445 (E_RNA)
where:
Base-Base interactions energy: -351.492
where: short stacking energy: -142.746
Base-Backbone interact. energy: -0.268
local terms energy: -166.986171
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -37.891
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -393.421079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.421079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.421079 (E_RNA)
where:
Base-Base interactions energy: -240.205
where: short stacking energy: -126.659
Base-Backbone interact. energy: -0.564
local terms energy: -152.651898
where:
bonds (distance) C4'-P energy: -32.583
bonds (distance) P-C4' energy: -43.070
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -218.631397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.631397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.631397 (E_RNA)
where:
Base-Base interactions energy: -78.250
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.000
local terms energy: -140.381219
where:
bonds (distance) C4'-P energy: -40.971
bonds (distance) P-C4' energy: -37.264
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -5.081
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -181.992771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.992771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.992771 (E_RNA)
where:
Base-Base interactions energy: -61.149
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.589
local terms energy: -120.254970
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: 4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -159.453830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.453830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.453830 (E_RNA)
where:
Base-Base interactions energy: -38.203
where: short stacking energy: -37.707
Base-Backbone interact. energy: -1.221
local terms energy: -120.030108
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -43.797
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -666.540961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.540961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.540961 (E_RNA)
where:
Base-Base interactions energy: -451.792
where: short stacking energy: -197.612
Base-Backbone interact. energy: -0.515
local terms energy: -214.233512
where:
bonds (distance) C4'-P energy: -38.163
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -46.921
flat angles P-C4'-P energy: -30.302
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -641.133644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.133644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.133644 (E_RNA)
where:
Base-Base interactions energy: -430.388
where: short stacking energy: -196.516
Base-Backbone interact. energy: -0.141
local terms energy: -210.604035
where:
bonds (distance) C4'-P energy: -42.339
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -27.985
tors. eta vs tors. theta energy: -60.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -633.124957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.124957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.124957 (E_RNA)
where:
Base-Base interactions energy: -429.875
where: short stacking energy: -192.804
Base-Backbone interact. energy: -0.086
local terms energy: -203.163123
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -41.239
flat angles P-C4'-P energy: -28.746
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -574.518710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.518710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.518710 (E_RNA)
where:
Base-Base interactions energy: -374.638
where: short stacking energy: -168.145
Base-Backbone interact. energy: -0.069
local terms energy: -199.811347
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -38.181
flat angles C4'-P-C4' energy: -42.448
flat angles P-C4'-P energy: -37.057
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -563.390887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.390887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.390887 (E_RNA)
where:
Base-Base interactions energy: -370.629
where: short stacking energy: -174.450
Base-Backbone interact. energy: -0.030
local terms energy: -192.731788
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: -49.019
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: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -493.222737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.222737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.222737 (E_RNA)
where:
Base-Base interactions energy: -326.468
where: short stacking energy: -139.785
Base-Backbone interact. energy: -0.931
local terms energy: -165.823870
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -38.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -400.066287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.066287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.066287 (E_RNA)
where:
Base-Base interactions energy: -253.069
where: short stacking energy: -120.912
Base-Backbone interact. energy: 0.032
local terms energy: -147.028826
where:
bonds (distance) C4'-P energy: -29.775
bonds (distance) P-C4' energy: -38.326
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -201.246785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.246785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.246785 (E_RNA)
where:
Base-Base interactions energy: -72.531
where: short stacking energy: -43.751
Base-Backbone interact. energy: -1.743
local terms energy: -126.973279
where:
bonds (distance) C4'-P energy: -35.460
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: 6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -207.152656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.152656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.152656 (E_RNA)
where:
Base-Base interactions energy: -77.842
where: short stacking energy: -76.859
Base-Backbone interact. energy: -0.424
local terms energy: -128.886938
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -37.981
flat angles C4'-P-C4' energy: -35.363
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -180.025528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.025528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.025528 (E_RNA)
where:
Base-Base interactions energy: -57.315
where: short stacking energy: -46.958
Base-Backbone interact. energy: -1.023
local terms energy: -121.687467
where:
bonds (distance) C4'-P energy: -42.117
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -18.724
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -674.380686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.380686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.380686 (E_RNA)
where:
Base-Base interactions energy: -447.191
where: short stacking energy: -210.288
Base-Backbone interact. energy: 1.407
local terms energy: -228.597159
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -41.687
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -66.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -641.954227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.954227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.954227 (E_RNA)
where:
Base-Base interactions energy: -424.412
where: short stacking energy: -195.200
Base-Backbone interact. energy: -0.754
local terms energy: -216.787567
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -35.959
flat angles C4'-P-C4' energy: -49.605
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -60.963
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -628.275479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.275479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.275479 (E_RNA)
where:
Base-Base interactions energy: -421.784
where: short stacking energy: -188.035
Base-Backbone interact. energy: -0.028
local terms energy: -206.463593
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -44.841
flat angles P-C4'-P energy: -24.551
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: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -568.025759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.025759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.025759 (E_RNA)
where:
Base-Base interactions energy: -370.527
where: short stacking energy: -171.015
Base-Backbone interact. energy: -0.626
local terms energy: -196.872789
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -45.798
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -50.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -553.958704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.958704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.958704 (E_RNA)
where:
Base-Base interactions energy: -371.382
where: short stacking energy: -154.025
Base-Backbone interact. energy: -0.458
local terms energy: -182.118031
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -37.357
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -522.861333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.861333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.861333 (E_RNA)
where:
Base-Base interactions energy: -340.498
where: short stacking energy: -139.847
Base-Backbone interact. energy: -0.209
local terms energy: -182.154745
where:
bonds (distance) C4'-P energy: -37.608
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -41.575
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -38.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -393.754508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.754508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.754508 (E_RNA)
where:
Base-Base interactions energy: -232.885
where: short stacking energy: -115.942
Base-Backbone interact. energy: -0.567
local terms energy: -160.302429
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -39.539
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -267.453857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.453857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.453857 (E_RNA)
where:
Base-Base interactions energy: -143.583
where: short stacking energy: -91.631
Base-Backbone interact. energy: -0.984
local terms energy: -122.886627
where:
bonds (distance) C4'-P energy: -39.031
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -190.692108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.692108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.692108 (E_RNA)
where:
Base-Base interactions energy: -74.940
where: short stacking energy: -41.821
Base-Backbone interact. energy: 1.005
local terms energy: -116.756962
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -26.063
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: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -177.740954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.740954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.740954 (E_RNA)
where:
Base-Base interactions energy: -66.229
where: short stacking energy: -49.524
Base-Backbone interact. energy: -0.480
local terms energy: -111.032019
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: 6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -680.691251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.691251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.691251 (E_RNA)
where:
Base-Base interactions energy: -457.411
where: short stacking energy: -212.031
Base-Backbone interact. energy: -0.397
local terms energy: -222.883003
where:
bonds (distance) C4'-P energy: -43.574
bonds (distance) P-C4' energy: -46.008
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -67.147
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: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -634.784499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.784499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.784499 (E_RNA)
where:
Base-Base interactions energy: -421.025
where: short stacking energy: -184.428
Base-Backbone interact. energy: -0.266
local terms energy: -213.493996
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -44.565
flat angles C4'-P-C4' energy: -48.691
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -55.640
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -616.451607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.451607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.451607 (E_RNA)
where:
Base-Base interactions energy: -413.677
where: short stacking energy: -180.379
Base-Backbone interact. energy: -0.144
local terms energy: -202.630340
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -43.137
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -57.974
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: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -587.844797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.844797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.844797 (E_RNA)
where:
Base-Base interactions energy: -379.293
where: short stacking energy: -186.887
Base-Backbone interact. energy: -1.837
local terms energy: -206.714757
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -44.224
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -53.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -544.173028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.173028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.173028 (E_RNA)
where:
Base-Base interactions energy: -368.131
where: short stacking energy: -155.528
Base-Backbone interact. energy: -0.207
local terms energy: -175.835540
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -46.594
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: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -555.195453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.195453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.195453 (E_RNA)
where:
Base-Base interactions energy: -381.928
where: short stacking energy: -170.796
Base-Backbone interact. energy: -0.327
local terms energy: -172.940512
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -49.704
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: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -390.550121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.550121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.550121 (E_RNA)
where:
Base-Base interactions energy: -249.666
where: short stacking energy: -111.586
Base-Backbone interact. energy: -1.018
local terms energy: -139.866140
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -262.097375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.097375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.097375 (E_RNA)
where:
Base-Base interactions energy: -133.494
where: short stacking energy: -81.503
Base-Backbone interact. energy: -1.497
local terms energy: -127.106867
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -38.311
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -192.189944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.189944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.189944 (E_RNA)
where:
Base-Base interactions energy: -70.092
where: short stacking energy: -62.172
Base-Backbone interact. energy: 0.804
local terms energy: -122.901845
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -28.593
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -25.010
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: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -170.816444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.816444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.816444 (E_RNA)
where:
Base-Base interactions energy: -58.270
where: short stacking energy: -43.360
Base-Backbone interact. energy: -0.567
local terms energy: -111.979805
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -18.092
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: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -688.747846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.747846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.747846 (E_RNA)
where:
Base-Base interactions energy: -469.816
where: short stacking energy: -210.452
Base-Backbone interact. energy: -0.287
local terms energy: -218.645348
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -40.018
flat angles C4'-P-C4' energy: -45.303
flat angles P-C4'-P energy: -36.817
tors. eta vs tors. theta energy: -62.940
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -632.937351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.937351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.937351 (E_RNA)
where:
Base-Base interactions energy: -407.655
where: short stacking energy: -185.836
Base-Backbone interact. energy: -1.337
local terms energy: -223.944862
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -46.379
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -59.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -623.715514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.715514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.715514 (E_RNA)
where:
Base-Base interactions energy: -421.728
where: short stacking energy: -178.323
Base-Backbone interact. energy: -0.102
local terms energy: -201.885666
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -47.119
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -58.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -562.886015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.886015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.886015 (E_RNA)
where:
Base-Base interactions energy: -371.089
where: short stacking energy: -164.766
Base-Backbone interact. energy: -0.039
local terms energy: -191.758067
where:
bonds (distance) C4'-P energy: -33.265
bonds (distance) P-C4' energy: -39.359
flat angles C4'-P-C4' energy: -43.023
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -46.747
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -564.389752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.389752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.389752 (E_RNA)
where:
Base-Base interactions energy: -386.392
where: short stacking energy: -150.660
Base-Backbone interact. energy: -1.393
local terms energy: -176.605455
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -42.666
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -41.214
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: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -551.534095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.534095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.534095 (E_RNA)
where:
Base-Base interactions energy: -362.520
where: short stacking energy: -156.060
Base-Backbone interact. energy: -0.419
local terms energy: -188.595116
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -41.581
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: -50.428
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: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -455.782343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.782343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.782343 (E_RNA)
where:
Base-Base interactions energy: -311.844
where: short stacking energy: -134.467
Base-Backbone interact. energy: 0.131
local terms energy: -144.069533
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -30.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -200.990327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990327 (E_RNA)
where:
Base-Base interactions energy: -84.718
where: short stacking energy: -54.786
Base-Backbone interact. energy: 1.302
local terms energy: -117.574496
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -168.318949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.318949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.318949 (E_RNA)
where:
Base-Base interactions energy: -65.008
where: short stacking energy: -54.591
Base-Backbone interact. energy: -0.879
local terms energy: -102.432281
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -164.606652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.606652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.606652 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -36.524
Base-Backbone interact. energy: 3.063
local terms energy: -120.620631
where:
bonds (distance) C4'-P energy: -37.532
bonds (distance) P-C4' energy: -38.747
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -656.266007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.266007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.266007 (E_RNA)
where:
Base-Base interactions energy: -436.643
where: short stacking energy: -207.777
Base-Backbone interact. energy: 0.231
local terms energy: -219.853820
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -40.018
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -59.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -663.666265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.666265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.666265 (E_RNA)
where:
Base-Base interactions energy: -441.965
where: short stacking energy: -196.249
Base-Backbone interact. energy: -0.472
local terms energy: -221.229122
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -44.515
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -67.647
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: 220
Temperature: 1.000000
Total energy: -616.558675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.558675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.558675 (E_RNA)
where:
Base-Base interactions energy: -403.615
where: short stacking energy: -177.141
Base-Backbone interact. energy: -1.593
local terms energy: -211.349967
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -56.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -561.839465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.839465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.839465 (E_RNA)
where:
Base-Base interactions energy: -384.915
where: short stacking energy: -166.322
Base-Backbone interact. energy: 0.552
local terms energy: -177.476527
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -41.050
flat angles P-C4'-P energy: -21.423
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -558.164020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.164020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.164020 (E_RNA)
where:
Base-Base interactions energy: -374.045
where: short stacking energy: -175.073
Base-Backbone interact. energy: -1.002
local terms energy: -183.116686
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -39.056
flat angles C4'-P-C4' energy: -41.279
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: -48.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -547.978053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.978053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.978053 (E_RNA)
where:
Base-Base interactions energy: -361.244
where: short stacking energy: -157.893
Base-Backbone interact. energy: 1.542
local terms energy: -188.276262
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -42.825
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -51.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -482.805511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.805511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.805511 (E_RNA)
where:
Base-Base interactions energy: -308.222
where: short stacking energy: -140.796
Base-Backbone interact. energy: -2.270
local terms energy: -172.313758
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -40.044
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -38.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -196.935226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.935226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.935226 (E_RNA)
where:
Base-Base interactions energy: -68.919
where: short stacking energy: -64.126
Base-Backbone interact. energy: 0.864
local terms energy: -128.880182
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -39.796
flat angles C4'-P-C4' energy: -31.248
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -8.691
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: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -181.207302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.207302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.207302 (E_RNA)
where:
Base-Base interactions energy: -55.313
where: short stacking energy: -42.659
Base-Backbone interact. energy: 0.335
local terms energy: -126.229215
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -43.098
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: 6.974
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: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -162.354419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.354419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.354419 (E_RNA)
where:
Base-Base interactions energy: -53.569
where: short stacking energy: -45.193
Base-Backbone interact. energy: 2.354
local terms energy: -111.139090
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -653.583460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.583460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.583460 (E_RNA)
where:
Base-Base interactions energy: -434.789
where: short stacking energy: -193.388
Base-Backbone interact. energy: -1.009
local terms energy: -217.785341
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -43.450
flat angles P-C4'-P energy: -31.391
tors. eta vs tors. theta energy: -60.400
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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -664.284188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.284188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.284188 (E_RNA)
where:
Base-Base interactions energy: -445.670
where: short stacking energy: -203.303
Base-Backbone interact. energy: -0.920
local terms energy: -217.693860
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -34.068
tors. eta vs tors. theta energy: -66.082
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: 221
Temperature: 1.000000
Total energy: -614.133708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.133708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.133708 (E_RNA)
where:
Base-Base interactions energy: -410.883
where: short stacking energy: -185.619
Base-Backbone interact. energy: -0.106
local terms energy: -203.145088
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -41.372
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -30.741
tors. eta vs tors. theta energy: -55.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -568.710589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.710589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.710589 (E_RNA)
where:
Base-Base interactions energy: -369.127
where: short stacking energy: -157.383
Base-Backbone interact. energy: -0.545
local terms energy: -199.038744
where:
bonds (distance) C4'-P energy: -40.131
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -27.449
tors. eta vs tors. theta energy: -50.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -558.986733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.986733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.986733 (E_RNA)
where:
Base-Base interactions energy: -375.240
where: short stacking energy: -166.221
Base-Backbone interact. energy: -0.119
local terms energy: -183.627502
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -36.716
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -48.161
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -493.279009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.279009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.279009 (E_RNA)
where:
Base-Base interactions energy: -328.618
where: short stacking energy: -146.572
Base-Backbone interact. energy: -0.698
local terms energy: -163.962928
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -38.520
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -41.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -473.886938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.886938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.886938 (E_RNA)
where:
Base-Base interactions energy: -309.747
where: short stacking energy: -138.280
Base-Backbone interact. energy: 0.255
local terms energy: -164.395006
where:
bonds (distance) C4'-P energy: -37.547
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -37.271
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -199.492829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.492829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.492829 (E_RNA)
where:
Base-Base interactions energy: -71.249
where: short stacking energy: -54.188
Base-Backbone interact. energy: -0.152
local terms energy: -128.091953
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -41.109
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -4.800
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: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -187.529154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.529154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.529154 (E_RNA)
where:
Base-Base interactions energy: -76.448
where: short stacking energy: -57.376
Base-Backbone interact. energy: -0.710
local terms energy: -110.371472
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -36.725
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -1.426
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: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -167.132324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.132324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.132324 (E_RNA)
where:
Base-Base interactions energy: -55.128
where: short stacking energy: -48.962
Base-Backbone interact. energy: -1.290
local terms energy: -110.714338
where:
bonds (distance) C4'-P energy: -32.384
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: 4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -648.410002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.410002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.410002 (E_RNA)
where:
Base-Base interactions energy: -422.410
where: short stacking energy: -195.077
Base-Backbone interact. energy: -0.326
local terms energy: -225.674092
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -41.799
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -63.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -673.514919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.514919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.514919 (E_RNA)
where:
Base-Base interactions energy: -442.391
where: short stacking energy: -199.773
Base-Backbone interact. energy: -2.136
local terms energy: -228.987967
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -69.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -604.866368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.866368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.866368 (E_RNA)
where:
Base-Base interactions energy: -412.111
where: short stacking energy: -174.931
Base-Backbone interact. energy: -0.477
local terms energy: -192.278487
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -55.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -582.294150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.294150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.294150 (E_RNA)
where:
Base-Base interactions energy: -386.626
where: short stacking energy: -176.133
Base-Backbone interact. energy: -1.357
local terms energy: -194.310965
where:
bonds (distance) C4'-P energy: -43.230
bonds (distance) P-C4' energy: -38.090
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -43.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -587.804562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.804562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.804562 (E_RNA)
where:
Base-Base interactions energy: -378.359
where: short stacking energy: -168.451
Base-Backbone interact. energy: -0.505
local terms energy: -208.940510
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -50.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -512.260319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.260319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.260319 (E_RNA)
where:
Base-Base interactions energy: -346.087
where: short stacking energy: -147.501
Base-Backbone interact. energy: -0.948
local terms energy: -165.225963
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -35.454
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: 222
Temperature: 1.200000
Total energy: -422.618713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.618713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.618713 (E_RNA)
where:
Base-Base interactions energy: -269.342
where: short stacking energy: -107.857
Base-Backbone interact. energy: 1.070
local terms energy: -154.346760
where:
bonds (distance) C4'-P energy: -35.984
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -35.691
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -216.492537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.492537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.492537 (E_RNA)
where:
Base-Base interactions energy: -85.826
where: short stacking energy: -65.926
Base-Backbone interact. energy: -1.454
local terms energy: -129.211667
where:
bonds (distance) C4'-P energy: -37.634
bonds (distance) P-C4' energy: -30.272
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -187.822976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.822976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.822976 (E_RNA)
where:
Base-Base interactions energy: -82.921
where: short stacking energy: -59.987
Base-Backbone interact. energy: 1.246
local terms energy: -106.147743
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -37.789
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: 10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -156.025596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025596 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -31.376
Base-Backbone interact. energy: 0.578
local terms energy: -112.820098
where:
bonds (distance) C4'-P energy: -37.114
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: 8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -661.520052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.520052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.520052 (E_RNA)
where:
Base-Base interactions energy: -440.570
where: short stacking energy: -209.219
Base-Backbone interact. energy: -0.737
local terms energy: -220.213084
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -42.544
flat angles P-C4'-P energy: -33.459
tors. eta vs tors. theta energy: -61.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -674.350878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.350878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.350878 (E_RNA)
where:
Base-Base interactions energy: -453.263
where: short stacking energy: -202.638
Base-Backbone interact. energy: -1.442
local terms energy: -219.646029
where:
bonds (distance) C4'-P energy: -32.699
bonds (distance) P-C4' energy: -41.743
flat angles C4'-P-C4' energy: -44.384
flat angles P-C4'-P energy: -32.258
tors. eta vs tors. theta energy: -68.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -608.014624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.014624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.014624 (E_RNA)
where:
Base-Base interactions energy: -417.585
where: short stacking energy: -179.242
Base-Backbone interact. energy: -0.738
local terms energy: -189.690878
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -41.648
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -55.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -570.761089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.761089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.761089 (E_RNA)
where:
Base-Base interactions energy: -374.257
where: short stacking energy: -170.104
Base-Backbone interact. energy: 0.045
local terms energy: -196.549080
where:
bonds (distance) C4'-P energy: -32.013
bonds (distance) P-C4' energy: -44.531
flat angles C4'-P-C4' energy: -44.538
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -44.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -595.153794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.153794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.153794 (E_RNA)
where:
Base-Base interactions energy: -410.462
where: short stacking energy: -171.246
Base-Backbone interact. energy: -0.240
local terms energy: -184.451870
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -48.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -494.531830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.531830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.531830 (E_RNA)
where:
Base-Base interactions energy: -322.516
where: short stacking energy: -126.599
Base-Backbone interact. energy: -0.226
local terms energy: -171.789214
where:
bonds (distance) C4'-P energy: -32.655
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -21.703
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: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -422.805554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.805554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.805554 (E_RNA)
where:
Base-Base interactions energy: -264.719
where: short stacking energy: -104.745
Base-Backbone interact. energy: -1.297
local terms energy: -156.789410
where:
bonds (distance) C4'-P energy: -41.552
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -36.129
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -209.438611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.438611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.438611 (E_RNA)
where:
Base-Base interactions energy: -79.351
where: short stacking energy: -61.367
Base-Backbone interact. energy: 0.376
local terms energy: -130.462933
where:
bonds (distance) C4'-P energy: -39.310
bonds (distance) P-C4' energy: -35.143
flat angles C4'-P-C4' energy: -30.919
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -1.369
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -185.780810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.780810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.780810 (E_RNA)
where:
Base-Base interactions energy: -71.125
where: short stacking energy: -49.280
Base-Backbone interact. energy: 0.375
local terms energy: -115.030150
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -40.723
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -167.094019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.094019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.094019 (E_RNA)
where:
Base-Base interactions energy: -48.266
where: short stacking energy: -36.429
Base-Backbone interact. energy: 0.210
local terms energy: -119.037878
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -43.329
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: 3.662
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: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -676.492095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.492095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.492095 (E_RNA)
where:
Base-Base interactions energy: -457.492
where: short stacking energy: -194.116
Base-Backbone interact. energy: -0.233
local terms energy: -218.766786
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -42.812
flat angles C4'-P-C4' energy: -45.052
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -63.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -646.934125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.934125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.934125 (E_RNA)
where:
Base-Base interactions energy: -422.098
where: short stacking energy: -196.880
Base-Backbone interact. energy: 1.965
local terms energy: -226.801304
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -49.365
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -65.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -603.247169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.247169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.247169 (E_RNA)
where:
Base-Base interactions energy: -402.269
where: short stacking energy: -177.738
Base-Backbone interact. energy: -0.288
local terms energy: -200.690278
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -37.356
flat angles C4'-P-C4' energy: -43.688
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -51.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -602.044968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.044968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.044968 (E_RNA)
where:
Base-Base interactions energy: -393.470
where: short stacking energy: -160.688
Base-Backbone interact. energy: -0.578
local terms energy: -207.997296
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -43.410
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: -58.848
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -594.018132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.018132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.018132 (E_RNA)
where:
Base-Base interactions energy: -394.040
where: short stacking energy: -169.266
Base-Backbone interact. energy: -1.021
local terms energy: -198.956822
where:
bonds (distance) C4'-P energy: -38.266
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -482.014066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.014066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.014066 (E_RNA)
where:
Base-Base interactions energy: -311.897
where: short stacking energy: -135.246
Base-Backbone interact. energy: -1.248
local terms energy: -168.869089
where:
bonds (distance) C4'-P energy: -38.977
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -40.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -427.779729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.779729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.779729 (E_RNA)
where:
Base-Base interactions energy: -267.149
where: short stacking energy: -124.304
Base-Backbone interact. energy: -0.556
local terms energy: -160.074661
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -30.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -205.795872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.795872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795872 (E_RNA)
where:
Base-Base interactions energy: -79.237
where: short stacking energy: -52.370
Base-Backbone interact. energy: 0.644
local terms energy: -127.203624
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -201.466595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.466595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.466595 (E_RNA)
where:
Base-Base interactions energy: -78.114
where: short stacking energy: -46.268
Base-Backbone interact. energy: -1.037
local terms energy: -122.315856
where:
bonds (distance) C4'-P energy: -34.838
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -175.430709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.430709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.430709 (E_RNA)
where:
Base-Base interactions energy: -72.015
where: short stacking energy: -48.133
Base-Backbone interact. energy: -0.213
local terms energy: -103.202449
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -680.506766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.506766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.506766 (E_RNA)
where:
Base-Base interactions energy: -462.525
where: short stacking energy: -203.878
Base-Backbone interact. energy: -0.980
local terms energy: -217.001614
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -37.970
flat angles C4'-P-C4' energy: -48.359
flat angles P-C4'-P energy: -27.571
tors. eta vs tors. theta energy: -61.809
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: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -637.833863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.833863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.833863 (E_RNA)
where:
Base-Base interactions energy: -427.273
where: short stacking energy: -201.950
Base-Backbone interact. energy: -0.003
local terms energy: -210.557305
where:
bonds (distance) C4'-P energy: -39.326
bonds (distance) P-C4' energy: -39.030
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -59.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -597.558797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.558797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.558797 (E_RNA)
where:
Base-Base interactions energy: -400.339
where: short stacking energy: -182.724
Base-Backbone interact. energy: -1.079
local terms energy: -196.140673
where:
bonds (distance) C4'-P energy: -40.096
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -54.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -596.012926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.012926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.012926 (E_RNA)
where:
Base-Base interactions energy: -397.936
where: short stacking energy: -178.672
Base-Backbone interact. energy: -0.496
local terms energy: -197.581027
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -37.125
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -53.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -559.621896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.621896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.621896 (E_RNA)
where:
Base-Base interactions energy: -376.058
where: short stacking energy: -168.050
Base-Backbone interact. energy: -0.187
local terms energy: -183.376906
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -25.887
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -453.986575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.986575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.986575 (E_RNA)
where:
Base-Base interactions energy: -296.340
where: short stacking energy: -144.096
Base-Backbone interact. energy: 0.254
local terms energy: -157.900946
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -36.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -445.222092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.222092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.222092 (E_RNA)
where:
Base-Base interactions energy: -292.408
where: short stacking energy: -119.441
Base-Backbone interact. energy: -0.528
local terms energy: -152.285638
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -36.672
flat angles C4'-P-C4' energy: -43.044
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -204.473838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.473838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.473838 (E_RNA)
where:
Base-Base interactions energy: -84.189
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.160
local terms energy: -120.124294
where:
bonds (distance) C4'-P energy: -37.558
bonds (distance) P-C4' energy: -44.850
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: 6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -177.807864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.807864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.807864 (E_RNA)
where:
Base-Base interactions energy: -50.463
where: short stacking energy: -48.930
Base-Backbone interact. energy: -0.869
local terms energy: -126.475871
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -167.154422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.154422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.154422 (E_RNA)
where:
Base-Base interactions energy: -59.747
where: short stacking energy: -50.605
Base-Backbone interact. energy: 0.625
local terms energy: -108.032442
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -44.219
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -20.970
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: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -662.005859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.005859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.005859 (E_RNA)
where:
Base-Base interactions energy: -441.087
where: short stacking energy: -207.692
Base-Backbone interact. energy: -0.632
local terms energy: -220.287512
where:
bonds (distance) C4'-P energy: -43.104
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -44.631
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -66.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -658.008475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.008475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.008475 (E_RNA)
where:
Base-Base interactions energy: -435.413
where: short stacking energy: -189.406
Base-Backbone interact. energy: 0.797
local terms energy: -223.392733
where:
bonds (distance) C4'-P energy: -42.067
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -49.670
flat angles P-C4'-P energy: -33.587
tors. eta vs tors. theta energy: -54.893
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: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -623.476685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.476685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.476685 (E_RNA)
where:
Base-Base interactions energy: -416.695
where: short stacking energy: -182.835
Base-Backbone interact. energy: -0.795
local terms energy: -205.987372
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -57.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -580.599928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.599928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.599928 (E_RNA)
where:
Base-Base interactions energy: -378.528
where: short stacking energy: -178.793
Base-Backbone interact. energy: -0.124
local terms energy: -201.947847
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -54.241
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -572.008185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.008185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.008185 (E_RNA)
where:
Base-Base interactions energy: -372.192
where: short stacking energy: -161.296
Base-Backbone interact. energy: -1.105
local terms energy: -198.710887
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -52.659
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: 226
Temperature: 1.150000
Total energy: -497.307280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.307280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.307280 (E_RNA)
where:
Base-Base interactions energy: -325.092
where: short stacking energy: -147.038
Base-Backbone interact. energy: -0.524
local terms energy: -171.691262
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -44.196
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: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -412.086358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.086358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.086358 (E_RNA)
where:
Base-Base interactions energy: -260.050
where: short stacking energy: -130.328
Base-Backbone interact. energy: -0.166
local terms energy: -151.871212
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -41.012
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -35.659
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: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -201.416677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.416677 (E_RNA)
where:
Base-Base interactions energy: -75.800
where: short stacking energy: -60.031
Base-Backbone interact. energy: 2.956
local terms energy: -128.573143
where:
bonds (distance) C4'-P energy: -40.690
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -179.944312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.944312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.944312 (E_RNA)
where:
Base-Base interactions energy: -50.708
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.420
local terms energy: -128.815799
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -1.010
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -190.798108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.798108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.798108 (E_RNA)
where:
Base-Base interactions energy: -76.954
where: short stacking energy: -56.117
Base-Backbone interact. energy: 2.804
local terms energy: -116.648021
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -663.019396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.019396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.019396 (E_RNA)
where:
Base-Base interactions energy: -440.645
where: short stacking energy: -198.851
Base-Backbone interact. energy: -0.459
local terms energy: -221.915249
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -43.119
flat angles C4'-P-C4' energy: -40.660
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -63.978
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: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -650.799366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.799366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.799366 (E_RNA)
where:
Base-Base interactions energy: -432.756
where: short stacking energy: -198.151
Base-Backbone interact. energy: -0.220
local terms energy: -217.823897
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -40.952
flat angles C4'-P-C4' energy: -46.599
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -61.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -621.085667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.085667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.085667 (E_RNA)
where:
Base-Base interactions energy: -419.375
where: short stacking energy: -180.375
Base-Backbone interact. energy: -0.166
local terms energy: -201.544820
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -25.442
tors. eta vs tors. theta energy: -63.174
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: 227
Temperature: 1.050000
Total energy: -590.966163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.966163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.966163 (E_RNA)
where:
Base-Base interactions energy: -385.492
where: short stacking energy: -188.395
Base-Backbone interact. energy: 0.805
local terms energy: -206.279792
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -53.980
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -577.985091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.985091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.985091 (E_RNA)
where:
Base-Base interactions energy: -377.141
where: short stacking energy: -171.684
Base-Backbone interact. energy: -0.380
local terms energy: -200.463756
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -37.398
flat angles C4'-P-C4' energy: -43.518
flat angles P-C4'-P energy: -35.466
tors. eta vs tors. theta energy: -48.569
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: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -477.658071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.658071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.658071 (E_RNA)
where:
Base-Base interactions energy: -319.374
where: short stacking energy: -138.696
Base-Backbone interact. energy: -0.900
local terms energy: -157.384099
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -399.412467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.412467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.412467 (E_RNA)
where:
Base-Base interactions energy: -240.304
where: short stacking energy: -100.878
Base-Backbone interact. energy: -1.059
local terms energy: -158.049750
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -202.070704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.070704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.070704 (E_RNA)
where:
Base-Base interactions energy: -84.925
where: short stacking energy: -61.362
Base-Backbone interact. energy: 0.884
local terms energy: -118.030082
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: 4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -188.792488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.792488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.792488 (E_RNA)
where:
Base-Base interactions energy: -82.351
where: short stacking energy: -28.603
Base-Backbone interact. energy: 2.045
local terms energy: -108.486335
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -44.770
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: 11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -177.010899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.010899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.010899 (E_RNA)
where:
Base-Base interactions energy: -68.375
where: short stacking energy: -45.725
Base-Backbone interact. energy: -2.461
local terms energy: -106.175277
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -674.087882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.087882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.087882 (E_RNA)
where:
Base-Base interactions energy: -451.389
where: short stacking energy: -205.705
Base-Backbone interact. energy: -1.265
local terms energy: -221.434328
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -64.204
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: 228
Temperature: 0.950000
Total energy: -641.571499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.571499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.571499 (E_RNA)
where:
Base-Base interactions energy: -419.144
where: short stacking energy: -190.737
Base-Backbone interact. energy: -1.542
local terms energy: -220.885561
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -40.528
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -27.363
tors. eta vs tors. theta energy: -65.627
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: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -630.426771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.426771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.426771 (E_RNA)
where:
Base-Base interactions energy: -420.002
where: short stacking energy: -191.848
Base-Backbone interact. energy: 0.883
local terms energy: -211.308250
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -43.887
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: -65.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -573.852806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.852806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.852806 (E_RNA)
where:
Base-Base interactions energy: -374.520
where: short stacking energy: -177.991
Base-Backbone interact. energy: -0.500
local terms energy: -198.832868
where:
bonds (distance) C4'-P energy: -40.981
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -50.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -581.693654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.693654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.693654 (E_RNA)
where:
Base-Base interactions energy: -389.823
where: short stacking energy: -173.062
Base-Backbone interact. energy: -0.180
local terms energy: -191.690953
where:
bonds (distance) C4'-P energy: -39.252
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -49.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -496.839572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.839572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.839572 (E_RNA)
where:
Base-Base interactions energy: -330.459
where: short stacking energy: -139.097
Base-Backbone interact. energy: -1.411
local terms energy: -164.969764
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -35.630
flat angles C4'-P-C4' energy: -42.564
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: -37.325
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -398.962622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.962622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.962622 (E_RNA)
where:
Base-Base interactions energy: -249.558
where: short stacking energy: -119.374
Base-Backbone interact. energy: -1.523
local terms energy: -147.881340
where:
bonds (distance) C4'-P energy: -28.892
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -201.108782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.108782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.108782 (E_RNA)
where:
Base-Base interactions energy: -70.298
where: short stacking energy: -44.554
Base-Backbone interact. energy: -1.261
local terms energy: -129.549716
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -180.836684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.836684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.836684 (E_RNA)
where:
Base-Base interactions energy: -70.635
where: short stacking energy: -65.779
Base-Backbone interact. energy: -1.076
local terms energy: -109.125644
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -173.853278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.853278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.853278 (E_RNA)
where:
Base-Base interactions energy: -58.211
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.753
local terms energy: -114.888741
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: 8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -669.051131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.051131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.051131 (E_RNA)
where:
Base-Base interactions energy: -454.277
where: short stacking energy: -210.609
Base-Backbone interact. energy: -0.521
local terms energy: -214.253675
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -37.484
flat angles C4'-P-C4' energy: -45.052
flat angles P-C4'-P energy: -32.745
tors. eta vs tors. theta energy: -64.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -637.635469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.635469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.635469 (E_RNA)
where:
Base-Base interactions energy: -414.767
where: short stacking energy: -190.536
Base-Backbone interact. energy: -0.039
local terms energy: -222.829056
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -64.672
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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -624.795949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.795949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.795949 (E_RNA)
where:
Base-Base interactions energy: -423.148
where: short stacking energy: -177.599
Base-Backbone interact. energy: -0.208
local terms energy: -201.440612
where:
bonds (distance) C4'-P energy: -38.460
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -41.347
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -58.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -573.196681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.196681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.196681 (E_RNA)
where:
Base-Base interactions energy: -387.495
where: short stacking energy: -169.936
Base-Backbone interact. energy: -1.597
local terms energy: -184.105414
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -37.278
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -50.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -561.607985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.607985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.607985 (E_RNA)
where:
Base-Base interactions energy: -365.422
where: short stacking energy: -163.346
Base-Backbone interact. energy: -0.635
local terms energy: -195.551098
where:
bonds (distance) C4'-P energy: -42.849
bonds (distance) P-C4' energy: -34.698
flat angles C4'-P-C4' energy: -42.332
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -48.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -510.681345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.681345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.681345 (E_RNA)
where:
Base-Base interactions energy: -334.847
where: short stacking energy: -126.297
Base-Backbone interact. energy: 0.014
local terms energy: -175.847794
where:
bonds (distance) C4'-P energy: -32.282
bonds (distance) P-C4' energy: -45.439
flat angles C4'-P-C4' energy: -42.631
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -31.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -448.274949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.274949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.274949 (E_RNA)
where:
Base-Base interactions energy: -278.836
where: short stacking energy: -121.110
Base-Backbone interact. energy: 0.713
local terms energy: -170.151820
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -34.743
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -36.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -184.134480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.134480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.134480 (E_RNA)
where:
Base-Base interactions energy: -66.187
where: short stacking energy: -50.660
Base-Backbone interact. energy: 1.698
local terms energy: -119.645396
where:
bonds (distance) C4'-P energy: -39.426
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: 2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -182.650383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.650383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.650383 (E_RNA)
where:
Base-Base interactions energy: -66.770
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.308
local terms energy: -115.573050
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -172.835552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.835552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.835552 (E_RNA)
where:
Base-Base interactions energy: -77.120
where: short stacking energy: -60.328
Base-Backbone interact. energy: 3.095
local terms energy: -98.810273
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -672.873236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.873236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.873236 (E_RNA)
where:
Base-Base interactions energy: -452.884
where: short stacking energy: -211.891
Base-Backbone interact. energy: -0.865
local terms energy: -219.124685
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -41.788
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: -64.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -636.587081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.587081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.587081 (E_RNA)
where:
Base-Base interactions energy: -416.631
where: short stacking energy: -196.707
Base-Backbone interact. energy: -0.713
local terms energy: -219.242892
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -41.230
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -63.263
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: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -609.411977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.411977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.411977 (E_RNA)
where:
Base-Base interactions energy: -409.219
where: short stacking energy: -170.495
Base-Backbone interact. energy: -0.182
local terms energy: -200.011592
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -38.153
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -53.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -582.554398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.554398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.554398 (E_RNA)
where:
Base-Base interactions energy: -374.715
where: short stacking energy: -176.546
Base-Backbone interact. energy: -0.250
local terms energy: -207.588972
where:
bonds (distance) C4'-P energy: -37.912
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -44.028
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -56.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -564.066677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.066677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.066677 (E_RNA)
where:
Base-Base interactions energy: -370.563
where: short stacking energy: -176.490
Base-Backbone interact. energy: -0.684
local terms energy: -192.819191
where:
bonds (distance) C4'-P energy: -37.045
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -54.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -500.067832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.067832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.067832 (E_RNA)
where:
Base-Base interactions energy: -338.495
where: short stacking energy: -131.212
Base-Backbone interact. energy: -0.253
local terms energy: -161.319913
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -33.696
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: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -426.064359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.064359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.064359 (E_RNA)
where:
Base-Base interactions energy: -275.032
where: short stacking energy: -129.158
Base-Backbone interact. energy: -0.658
local terms energy: -150.374024
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -20.091
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: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -189.165806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.165806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.165806 (E_RNA)
where:
Base-Base interactions energy: -59.744
where: short stacking energy: -55.357
Base-Backbone interact. energy: -1.114
local terms energy: -128.307729
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -180.897167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.897167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.897167 (E_RNA)
where:
Base-Base interactions energy: -61.996
where: short stacking energy: -49.668
Base-Backbone interact. energy: 1.360
local terms energy: -120.260538
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: 3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -198.783315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.783315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783315 (E_RNA)
where:
Base-Base interactions energy: -71.091
where: short stacking energy: -50.075
Base-Backbone interact. energy: 0.089
local terms energy: -127.780829
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -35.452
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: 1.187
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: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -667.529187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.529187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.529187 (E_RNA)
where:
Base-Base interactions energy: -436.042
where: short stacking energy: -209.010
Base-Backbone interact. energy: -0.746
local terms energy: -230.741356
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -45.887
flat angles P-C4'-P energy: -34.088
tors. eta vs tors. theta energy: -70.363
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: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -639.340453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.340453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.340453 (E_RNA)
where:
Base-Base interactions energy: -435.901
where: short stacking energy: -188.030
Base-Backbone interact. energy: -0.085
local terms energy: -203.354142
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -43.211
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -59.656
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -646.597281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.597281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.597281 (E_RNA)
where:
Base-Base interactions energy: -434.336
where: short stacking energy: -198.581
Base-Backbone interact. energy: 0.057
local terms energy: -212.318698
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -40.827
flat angles P-C4'-P energy: -33.328
tors. eta vs tors. theta energy: -59.011
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -585.781083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.781083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.781083 (E_RNA)
where:
Base-Base interactions energy: -379.057
where: short stacking energy: -174.555
Base-Backbone interact. energy: -0.743
local terms energy: -205.981746
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -42.648
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -54.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -552.093215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.093215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.093215 (E_RNA)
where:
Base-Base interactions energy: -373.354
where: short stacking energy: -171.308
Base-Backbone interact. energy: 0.274
local terms energy: -179.013661
where:
bonds (distance) C4'-P energy: -33.480
bonds (distance) P-C4' energy: -40.128
flat angles C4'-P-C4' energy: -35.422
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -48.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -458.135743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.135743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.135743 (E_RNA)
where:
Base-Base interactions energy: -277.328
where: short stacking energy: -118.286
Base-Backbone interact. energy: -0.320
local terms energy: -180.486806
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -28.467
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: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -459.643174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.643174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.643174 (E_RNA)
where:
Base-Base interactions energy: -304.203
where: short stacking energy: -133.476
Base-Backbone interact. energy: -1.431
local terms energy: -154.009255
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -39.075
flat angles P-C4'-P energy: -28.534
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: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -198.481868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.481868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.481868 (E_RNA)
where:
Base-Base interactions energy: -88.209
where: short stacking energy: -62.569
Base-Backbone interact. energy: -1.621
local terms energy: -108.651771
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -25.398
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: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -184.600962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.600962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.600962 (E_RNA)
where:
Base-Base interactions energy: -64.652
where: short stacking energy: -49.334
Base-Backbone interact. energy: 3.935
local terms energy: -123.883268
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -28.926
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: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -169.890897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.890897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.890897 (E_RNA)
where:
Base-Base interactions energy: -63.544
where: short stacking energy: -45.085
Base-Backbone interact. energy: -1.294
local terms energy: -105.052730
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -673.796791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.796791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.796791 (E_RNA)
where:
Base-Base interactions energy: -448.922
where: short stacking energy: -201.914
Base-Backbone interact. energy: 0.147
local terms energy: -225.021308
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -39.686
flat angles C4'-P-C4' energy: -45.358
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -67.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -621.642558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.642558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.642558 (E_RNA)
where:
Base-Base interactions energy: -415.845
where: short stacking energy: -173.816
Base-Backbone interact. energy: -0.694
local terms energy: -205.103298
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -46.569
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -52.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -628.118091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.118091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.118091 (E_RNA)
where:
Base-Base interactions energy: -423.989
where: short stacking energy: -190.498
Base-Backbone interact. energy: -0.917
local terms energy: -203.212076
where:
bonds (distance) C4'-P energy: -35.264
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -58.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -591.509983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.509983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.509983 (E_RNA)
where:
Base-Base interactions energy: -401.956
where: short stacking energy: -176.756
Base-Backbone interact. energy: -3.435
local terms energy: -186.119041
where:
bonds (distance) C4'-P energy: -36.538
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -37.193
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -53.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -568.828679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.828679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.828679 (E_RNA)
where:
Base-Base interactions energy: -365.569
where: short stacking energy: -164.598
Base-Backbone interact. energy: -1.798
local terms energy: -201.462018
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -43.399
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -50.895
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: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -470.262950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.262950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.262950 (E_RNA)
where:
Base-Base interactions energy: -312.773
where: short stacking energy: -117.277
Base-Backbone interact. energy: -1.245
local terms energy: -156.245817
where:
bonds (distance) C4'-P energy: -33.614
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -32.601
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: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -446.621962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.621962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.621962 (E_RNA)
where:
Base-Base interactions energy: -281.800
where: short stacking energy: -109.403
Base-Backbone interact. energy: 0.672
local terms energy: -165.493525
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -43.134
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -200.422454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.422454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.422454 (E_RNA)
where:
Base-Base interactions energy: -80.662
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.927
local terms energy: -118.833666
where:
bonds (distance) C4'-P energy: -35.503
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -177.996018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.996018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.996018 (E_RNA)
where:
Base-Base interactions energy: -70.518
where: short stacking energy: -42.821
Base-Backbone interact. energy: -1.203
local terms energy: -106.275582
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: 5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -165.957987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.957987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.957987 (E_RNA)
where:
Base-Base interactions energy: -60.247
where: short stacking energy: -48.580
Base-Backbone interact. energy: -0.267
local terms energy: -105.443938
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: 4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -669.163792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.163792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.163792 (E_RNA)
where:
Base-Base interactions energy: -447.573
where: short stacking energy: -199.778
Base-Backbone interact. energy: -0.341
local terms energy: -221.249549
where:
bonds (distance) C4'-P energy: -41.839
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -62.371
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: 233
Temperature: 0.950000
Total energy: -666.607773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.607773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.607773 (E_RNA)
where:
Base-Base interactions energy: -443.776
where: short stacking energy: -207.456
Base-Backbone interact. energy: 0.605
local terms energy: -223.437010
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -41.146
flat angles C4'-P-C4' energy: -43.253
flat angles P-C4'-P energy: -34.557
tors. eta vs tors. theta energy: -63.693
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: 233
Temperature: 1.000000
Total energy: -629.907842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.907842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.907842 (E_RNA)
where:
Base-Base interactions energy: -420.514
where: short stacking energy: -203.387
Base-Backbone interact. energy: -0.568
local terms energy: -208.826556
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -42.546
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -64.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -577.022515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.022515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.022515 (E_RNA)
where:
Base-Base interactions energy: -377.685
where: short stacking energy: -181.126
Base-Backbone interact. energy: -1.227
local terms energy: -198.110561
where:
bonds (distance) C4'-P energy: -44.273
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -54.911
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: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -553.246553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.246553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.246553 (E_RNA)
where:
Base-Base interactions energy: -366.802
where: short stacking energy: -161.230
Base-Backbone interact. energy: 0.498
local terms energy: -186.942389
where:
bonds (distance) C4'-P energy: -33.229
bonds (distance) P-C4' energy: -37.018
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -44.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -474.178544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.178544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.178544 (E_RNA)
where:
Base-Base interactions energy: -296.454
where: short stacking energy: -132.297
Base-Backbone interact. energy: -0.163
local terms energy: -177.561692
where:
bonds (distance) C4'-P energy: -28.165
bonds (distance) P-C4' energy: -36.577
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -43.743
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: 233
Temperature: 1.200000
Total energy: -401.590715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.590715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.590715 (E_RNA)
where:
Base-Base interactions energy: -253.075
where: short stacking energy: -105.868
Base-Backbone interact. energy: -0.384
local terms energy: -148.132401
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -185.715663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.715663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.715663 (E_RNA)
where:
Base-Base interactions energy: -66.811
where: short stacking energy: -45.595
Base-Backbone interact. energy: 0.806
local terms energy: -119.709983
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -228.022270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.022270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.022270 (E_RNA)
where:
Base-Base interactions energy: -95.687
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.873
local terms energy: -131.461758
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -168.435751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435751 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -44.125
Base-Backbone interact. energy: -1.215
local terms energy: -119.577661
where:
bonds (distance) C4'-P energy: -37.514
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -675.236718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.236718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.236718 (E_RNA)
where:
Base-Base interactions energy: -448.650
where: short stacking energy: -206.369
Base-Backbone interact. energy: -0.042
local terms energy: -226.544114
where:
bonds (distance) C4'-P energy: -43.378
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -46.712
flat angles P-C4'-P energy: -32.012
tors. eta vs tors. theta energy: -64.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -652.558572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.558572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.558572 (E_RNA)
where:
Base-Base interactions energy: -432.310
where: short stacking energy: -200.690
Base-Backbone interact. energy: -1.273
local terms energy: -218.975224
where:
bonds (distance) C4'-P energy: -42.041
bonds (distance) P-C4' energy: -43.678
flat angles C4'-P-C4' energy: -43.067
flat angles P-C4'-P energy: -31.208
tors. eta vs tors. theta energy: -58.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -634.486423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.486423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.486423 (E_RNA)
where:
Base-Base interactions energy: -417.629
where: short stacking energy: -192.044
Base-Backbone interact. energy: -0.094
local terms energy: -216.763880
where:
bonds (distance) C4'-P energy: -36.718
bonds (distance) P-C4' energy: -42.684
flat angles C4'-P-C4' energy: -44.791
flat angles P-C4'-P energy: -27.150
tors. eta vs tors. theta energy: -65.422
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: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -586.689993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.689993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.689993 (E_RNA)
where:
Base-Base interactions energy: -379.213
where: short stacking energy: -173.225
Base-Backbone interact. energy: -1.455
local terms energy: -206.021129
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -45.925
flat angles C4'-P-C4' energy: -47.735
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -52.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -559.571909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.571909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.571909 (E_RNA)
where:
Base-Base interactions energy: -366.858
where: short stacking energy: -157.609
Base-Backbone interact. energy: -1.413
local terms energy: -191.301228
where:
bonds (distance) C4'-P energy: -46.645
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -24.996
tors. eta vs tors. theta energy: -39.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -484.884705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.884705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.884705 (E_RNA)
where:
Base-Base interactions energy: -311.490
where: short stacking energy: -122.428
Base-Backbone interact. energy: -0.462
local terms energy: -172.933205
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -40.305
flat angles C4'-P-C4' energy: -37.884
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: -38.986
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: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -389.621301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.621301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.621301 (E_RNA)
where:
Base-Base interactions energy: -245.644
where: short stacking energy: -108.455
Base-Backbone interact. energy: 0.417
local terms energy: -144.393768
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -25.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -183.305295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.305295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.305295 (E_RNA)
where:
Base-Base interactions energy: -72.388
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.245
local terms energy: -110.673004
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -26.729
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: 3.608
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: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -228.191561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.191561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.191561 (E_RNA)
where:
Base-Base interactions energy: -97.092
where: short stacking energy: -54.398
Base-Backbone interact. energy: 0.229
local terms energy: -131.328548
where:
bonds (distance) C4'-P energy: -34.196
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -4.799
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -182.272575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.272575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.272575 (E_RNA)
where:
Base-Base interactions energy: -55.393
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.902
local terms energy: -125.976864
where:
bonds (distance) C4'-P energy: -39.886
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: 2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -659.343608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.343608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.343608 (E_RNA)
where:
Base-Base interactions energy: -441.463
where: short stacking energy: -205.071
Base-Backbone interact. energy: 1.012
local terms energy: -218.891942
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -39.873
flat angles C4'-P-C4' energy: -46.351
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -62.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -659.594776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.594776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.594776 (E_RNA)
where:
Base-Base interactions energy: -455.250
where: short stacking energy: -206.442
Base-Backbone interact. energy: -1.301
local terms energy: -203.043814
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -43.212
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -62.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -631.249652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.249652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.249652 (E_RNA)
where:
Base-Base interactions energy: -427.377
where: short stacking energy: -196.516
Base-Backbone interact. energy: 0.109
local terms energy: -203.981541
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -62.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -596.638850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.638850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.638850 (E_RNA)
where:
Base-Base interactions energy: -388.370
where: short stacking energy: -166.101
Base-Backbone interact. energy: -0.836
local terms energy: -207.432596
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -48.055
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -57.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -546.536653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.536653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.536653 (E_RNA)
where:
Base-Base interactions energy: -358.073
where: short stacking energy: -166.167
Base-Backbone interact. energy: 1.219
local terms energy: -189.682223
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -45.150
flat angles P-C4'-P energy: -28.044
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: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -479.477633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.477633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.477633 (E_RNA)
where:
Base-Base interactions energy: -309.389
where: short stacking energy: -134.130
Base-Backbone interact. energy: -1.013
local terms energy: -169.076079
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -30.038
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -38.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -445.691100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.691100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.691100 (E_RNA)
where:
Base-Base interactions energy: -295.771
where: short stacking energy: -135.673
Base-Backbone interact. energy: 0.731
local terms energy: -150.650998
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -33.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -240.497253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.497253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.497253 (E_RNA)
where:
Base-Base interactions energy: -119.783
where: short stacking energy: -76.341
Base-Backbone interact. energy: 0.667
local terms energy: -121.380751
where:
bonds (distance) C4'-P energy: -28.322
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -179.391459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.391459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.391459 (E_RNA)
where:
Base-Base interactions energy: -75.358
where: short stacking energy: -40.276
Base-Backbone interact. energy: -0.293
local terms energy: -103.740783
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: 10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -162.418882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.418882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.418882 (E_RNA)
where:
Base-Base interactions energy: -66.830
where: short stacking energy: -40.385
Base-Backbone interact. energy: 2.152
local terms energy: -97.740879
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: 9.875
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: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -656.319217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.319217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.319217 (E_RNA)
where:
Base-Base interactions energy: -439.621
where: short stacking energy: -201.369
Base-Backbone interact. energy: -0.735
local terms energy: -215.963627
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -32.968
tors. eta vs tors. theta energy: -62.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -631.580208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.580208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.580208 (E_RNA)
where:
Base-Base interactions energy: -416.294
where: short stacking energy: -187.417
Base-Backbone interact. energy: -0.530
local terms energy: -214.755903
where:
bonds (distance) C4'-P energy: -40.450
bonds (distance) P-C4' energy: -35.401
flat angles C4'-P-C4' energy: -42.180
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -59.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -627.831438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.831438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.831438 (E_RNA)
where:
Base-Base interactions energy: -428.695
where: short stacking energy: -175.315
Base-Backbone interact. energy: -0.524
local terms energy: -198.612294
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -45.040
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -58.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -572.727688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.727688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.727688 (E_RNA)
where:
Base-Base interactions energy: -377.426
where: short stacking energy: -177.640
Base-Backbone interact. energy: -0.973
local terms energy: -194.328336
where:
bonds (distance) C4'-P energy: -36.698
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -40.572
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -53.119
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: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -532.122517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.122517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.122517 (E_RNA)
where:
Base-Base interactions energy: -338.741
where: short stacking energy: -152.658
Base-Backbone interact. energy: -2.099
local terms energy: -191.281786
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -49.562
flat angles P-C4'-P energy: -28.710
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -475.228530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.228530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.228530 (E_RNA)
where:
Base-Base interactions energy: -322.469
where: short stacking energy: -137.500
Base-Backbone interact. energy: -0.290
local terms energy: -152.469699
where:
bonds (distance) C4'-P energy: -34.824
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -27.420
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: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -403.839692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.839692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.839692 (E_RNA)
where:
Base-Base interactions energy: -252.344
where: short stacking energy: -119.794
Base-Backbone interact. energy: -0.639
local terms energy: -150.856658
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -38.270
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -238.973098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.973098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.973098 (E_RNA)
where:
Base-Base interactions energy: -119.645
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.751
local terms energy: -118.577114
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -181.685644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685644 (E_RNA)
where:
Base-Base interactions energy: -68.522
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.952
local terms energy: -112.211716
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -176.142731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.142731 (E_RNA)
where:
Base-Base interactions energy: -56.901
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.567
local terms energy: -118.675047
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -677.520055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.520055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.520055 (E_RNA)
where:
Base-Base interactions energy: -456.429
where: short stacking energy: -202.960
Base-Backbone interact. energy: -0.931
local terms energy: -220.159538
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -46.263
flat angles P-C4'-P energy: -30.513
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: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -645.211043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.211043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.211043 (E_RNA)
where:
Base-Base interactions energy: -413.247
where: short stacking energy: -199.572
Base-Backbone interact. energy: -0.145
local terms energy: -231.819069
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -38.928
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -65.879
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: 237
Temperature: 1.000000
Total energy: -643.147811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.147811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.147811 (E_RNA)
where:
Base-Base interactions energy: -426.045
where: short stacking energy: -185.051
Base-Backbone interact. energy: -0.179
local terms energy: -216.923700
where:
bonds (distance) C4'-P energy: -38.945
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -63.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -546.795989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.795989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.795989 (E_RNA)
where:
Base-Base interactions energy: -360.977
where: short stacking energy: -176.057
Base-Backbone interact. energy: -0.764
local terms energy: -185.055230
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: -48.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -536.450864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.450864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.450864 (E_RNA)
where:
Base-Base interactions energy: -343.015
where: short stacking energy: -166.115
Base-Backbone interact. energy: -1.407
local terms energy: -192.029435
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -41.793
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -52.693
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: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -521.503141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.503141 (E_RNA)
where:
Base-Base interactions energy: -347.031
where: short stacking energy: -144.234
Base-Backbone interact. energy: -1.205
local terms energy: -173.267266
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -28.964
tors. eta vs tors. theta energy: -35.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -409.573911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.573911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.573911 (E_RNA)
where:
Base-Base interactions energy: -264.927
where: short stacking energy: -108.374
Base-Backbone interact. energy: 0.083
local terms energy: -144.729906
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -196.204792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.204792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.204792 (E_RNA)
where:
Base-Base interactions energy: -71.978
where: short stacking energy: -61.979
Base-Backbone interact. energy: 2.685
local terms energy: -126.911784
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -182.969144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.969144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.969144 (E_RNA)
where:
Base-Base interactions energy: -68.207
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.395
local terms energy: -114.367345
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -37.550
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -180.207859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.207859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.207859 (E_RNA)
where:
Base-Base interactions energy: -68.489
where: short stacking energy: -48.544
Base-Backbone interact. energy: 0.496
local terms energy: -112.215064
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: 6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -670.775159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.775159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.775159 (E_RNA)
where:
Base-Base interactions energy: -442.504
where: short stacking energy: -202.858
Base-Backbone interact. energy: 0.930
local terms energy: -229.201156
where:
bonds (distance) C4'-P energy: -43.956
bonds (distance) P-C4' energy: -44.424
flat angles C4'-P-C4' energy: -45.762
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -61.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -641.057589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.057589 (E_RNA)
where:
Base-Base interactions energy: -429.724
where: short stacking energy: -193.776
Base-Backbone interact. energy: 0.047
local terms energy: -211.380996
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -45.768
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -61.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -631.291080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.291080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.291080 (E_RNA)
where:
Base-Base interactions energy: -425.201
where: short stacking energy: -190.239
Base-Backbone interact. energy: 1.011
local terms energy: -207.100349
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -29.880
tors. eta vs tors. theta energy: -62.189
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: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -567.712798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.712798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.712798 (E_RNA)
where:
Base-Base interactions energy: -367.915
where: short stacking energy: -177.303
Base-Backbone interact. energy: -0.149
local terms energy: -199.648448
where:
bonds (distance) C4'-P energy: -39.541
bonds (distance) P-C4' energy: -36.104
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -49.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -547.739300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.739300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.739300 (E_RNA)
where:
Base-Base interactions energy: -359.210
where: short stacking energy: -146.726
Base-Backbone interact. energy: 0.640
local terms energy: -189.169613
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -48.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -530.073879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.073879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.073879 (E_RNA)
where:
Base-Base interactions energy: -341.095
where: short stacking energy: -154.256
Base-Backbone interact. energy: -0.457
local terms energy: -188.521923
where:
bonds (distance) C4'-P energy: -37.318
bonds (distance) P-C4' energy: -39.173
flat angles C4'-P-C4' energy: -45.248
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -45.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -404.290807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.290807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.290807 (E_RNA)
where:
Base-Base interactions energy: -253.948
where: short stacking energy: -116.703
Base-Backbone interact. energy: 0.505
local terms energy: -150.848154
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -185.515957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515957 (E_RNA)
where:
Base-Base interactions energy: -70.591
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.998
local terms energy: -113.927400
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -184.250045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.250045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.250045 (E_RNA)
where:
Base-Base interactions energy: -83.378
where: short stacking energy: -59.142
Base-Backbone interact. energy: 7.661
local terms energy: -108.533200
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -40.921
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -173.952207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.952207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.952207 (E_RNA)
where:
Base-Base interactions energy: -70.772
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.913
local terms energy: -102.266580
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -34.937
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -669.010799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.010799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.010799 (E_RNA)
where:
Base-Base interactions energy: -443.902
where: short stacking energy: -201.619
Base-Backbone interact. energy: -0.232
local terms energy: -224.877197
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -60.709
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -637.936488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.936488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.936488 (E_RNA)
where:
Base-Base interactions energy: -426.231
where: short stacking energy: -183.593
Base-Backbone interact. energy: -1.606
local terms energy: -210.099631
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -45.204
flat angles P-C4'-P energy: -30.105
tors. eta vs tors. theta energy: -64.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -625.774725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.774725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.774725 (E_RNA)
where:
Base-Base interactions energy: -433.326
where: short stacking energy: -195.705
Base-Backbone interact. energy: -0.342
local terms energy: -192.106790
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -29.966
flat angles C4'-P-C4' energy: -44.058
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -60.724
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: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -544.929940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.929940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.929940 (E_RNA)
where:
Base-Base interactions energy: -369.516
where: short stacking energy: -149.480
Base-Backbone interact. energy: -0.967
local terms energy: -174.446568
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -37.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -560.632903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.632903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.632903 (E_RNA)
where:
Base-Base interactions energy: -364.942
where: short stacking energy: -165.509
Base-Backbone interact. energy: -0.572
local terms energy: -195.119002
where:
bonds (distance) C4'-P energy: -36.006
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -38.449
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -47.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -564.828491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.828491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.828491 (E_RNA)
where:
Base-Base interactions energy: -375.018
where: short stacking energy: -160.449
Base-Backbone interact. energy: 2.542
local terms energy: -192.352400
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -35.978
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -50.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -406.872748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.872748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.872748 (E_RNA)
where:
Base-Base interactions energy: -229.191
where: short stacking energy: -97.319
Base-Backbone interact. energy: -3.002
local terms energy: -174.678978
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -26.457
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: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -211.369473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.369473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.369473 (E_RNA)
where:
Base-Base interactions energy: -99.245
where: short stacking energy: -53.539
Base-Backbone interact. energy: -0.793
local terms energy: -111.331934
where:
bonds (distance) C4'-P energy: -33.989
bonds (distance) P-C4' energy: -33.382
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -204.039804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.039804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.039804 (E_RNA)
where:
Base-Base interactions energy: -77.075
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.283
local terms energy: -126.682412
where:
bonds (distance) C4'-P energy: -41.631
bonds (distance) P-C4' energy: -39.768
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -184.227152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.227152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.227152 (E_RNA)
where:
Base-Base interactions energy: -62.230
where: short stacking energy: -56.749
Base-Backbone interact. energy: 2.435
local terms energy: -124.432225
where:
bonds (distance) C4'-P energy: -38.035
bonds (distance) P-C4' energy: -34.981
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: 4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -667.550398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.550398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.550398 (E_RNA)
where:
Base-Base interactions energy: -458.938
where: short stacking energy: -204.150
Base-Backbone interact. energy: -0.849
local terms energy: -207.763551
where:
bonds (distance) C4'-P energy: -36.624
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -46.026
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -60.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -649.818591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.818591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.818591 (E_RNA)
where:
Base-Base interactions energy: -429.729
where: short stacking energy: -202.857
Base-Backbone interact. energy: -0.288
local terms energy: -219.802020
where:
bonds (distance) C4'-P energy: -39.133
bonds (distance) P-C4' energy: -37.763
flat angles C4'-P-C4' energy: -43.621
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: -62.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -634.025708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.025708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.025708 (E_RNA)
where:
Base-Base interactions energy: -418.390
where: short stacking energy: -185.405
Base-Backbone interact. energy: -0.102
local terms energy: -215.534214
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -42.445
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -58.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -564.225136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.225136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.225136 (E_RNA)
where:
Base-Base interactions energy: -362.890
where: short stacking energy: -170.320
Base-Backbone interact. energy: -0.042
local terms energy: -201.293187
where:
bonds (distance) C4'-P energy: -38.083
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -31.049
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: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -572.834665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.834665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.834665 (E_RNA)
where:
Base-Base interactions energy: -377.715
where: short stacking energy: -160.180
Base-Backbone interact. energy: -0.477
local terms energy: -194.642744
where:
bonds (distance) C4'-P energy: -39.106
bonds (distance) P-C4' energy: -41.614
flat angles C4'-P-C4' energy: -47.032
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -50.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -556.320578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.320578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.320578 (E_RNA)
where:
Base-Base interactions energy: -359.001
where: short stacking energy: -161.272
Base-Backbone interact. energy: -0.143
local terms energy: -197.176293
where:
bonds (distance) C4'-P energy: -41.508
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -51.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -406.990236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.990236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.990236 (E_RNA)
where:
Base-Base interactions energy: -252.238
where: short stacking energy: -111.730
Base-Backbone interact. energy: -1.544
local terms energy: -153.207315
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -23.991
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: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -212.289474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.289474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.289474 (E_RNA)
where:
Base-Base interactions energy: -84.205
where: short stacking energy: -62.282
Base-Backbone interact. energy: -1.856
local terms energy: -126.228692
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -209.250822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.250822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.250822 (E_RNA)
where:
Base-Base interactions energy: -82.152
where: short stacking energy: -68.933
Base-Backbone interact. energy: 0.293
local terms energy: -127.391640
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -41.078
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -183.070080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.070080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.070080 (E_RNA)
where:
Base-Base interactions energy: -62.590
where: short stacking energy: -45.083
Base-Backbone interact. energy: -0.473
local terms energy: -120.007455
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -23.035
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: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -683.855699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.855699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.855699 (E_RNA)
where:
Base-Base interactions energy: -461.749
where: short stacking energy: -208.208
Base-Backbone interact. energy: -0.650
local terms energy: -221.456898
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -41.666
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -65.900
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: 241
Temperature: 0.950000
Total energy: -645.751338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.751338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.751338 (E_RNA)
where:
Base-Base interactions energy: -436.497
where: short stacking energy: -197.015
Base-Backbone interact. energy: 0.346
local terms energy: -209.600676
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -41.454
flat angles P-C4'-P energy: -30.491
tors. eta vs tors. theta energy: -66.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -625.731148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.731148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.731148 (E_RNA)
where:
Base-Base interactions energy: -424.638
where: short stacking energy: -188.847
Base-Backbone interact. energy: -0.046
local terms energy: -201.047776
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -585.786035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.786035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.786035 (E_RNA)
where:
Base-Base interactions energy: -382.235
where: short stacking energy: -171.908
Base-Backbone interact. energy: -0.517
local terms energy: -203.034762
where:
bonds (distance) C4'-P energy: -39.503
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -42.470
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -50.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -562.180699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.180699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.180699 (E_RNA)
where:
Base-Base interactions energy: -372.029
where: short stacking energy: -155.670
Base-Backbone interact. energy: 0.309
local terms energy: -190.461308
where:
bonds (distance) C4'-P energy: -40.397
bonds (distance) P-C4' energy: -40.278
flat angles C4'-P-C4' energy: -38.398
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -552.136543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.136543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.136543 (E_RNA)
where:
Base-Base interactions energy: -357.782
where: short stacking energy: -165.096
Base-Backbone interact. energy: -0.193
local terms energy: -194.161185
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -50.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -406.702393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.702393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.702393 (E_RNA)
where:
Base-Base interactions energy: -258.353
where: short stacking energy: -121.057
Base-Backbone interact. energy: 0.003
local terms energy: -148.353325
where:
bonds (distance) C4'-P energy: -41.975
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -197.228565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.228565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.228565 (E_RNA)
where:
Base-Base interactions energy: -70.707
where: short stacking energy: -49.746
Base-Backbone interact. energy: -1.167
local terms energy: -125.354628
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -195.072919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.072919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.072919 (E_RNA)
where:
Base-Base interactions energy: -78.065
where: short stacking energy: -56.783
Base-Backbone interact. energy: -1.983
local terms energy: -115.025178
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: 1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -191.304602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.304602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.304602 (E_RNA)
where:
Base-Base interactions energy: -72.894
where: short stacking energy: -55.734
Base-Backbone interact. energy: -0.260
local terms energy: -118.151159
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -12.067
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: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -672.827820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.827820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.827820 (E_RNA)
where:
Base-Base interactions energy: -455.559
where: short stacking energy: -198.177
Base-Backbone interact. energy: -1.740
local terms energy: -215.528774
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -46.218
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: -55.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -659.292751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.292751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.292751 (E_RNA)
where:
Base-Base interactions energy: -449.178
where: short stacking energy: -203.501
Base-Backbone interact. energy: 0.532
local terms energy: -210.646585
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -63.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -609.940259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.940259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.940259 (E_RNA)
where:
Base-Base interactions energy: -394.498
where: short stacking energy: -192.815
Base-Backbone interact. energy: -1.315
local terms energy: -214.127051
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -40.404
flat angles C4'-P-C4' energy: -49.585
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -63.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -576.592994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.592994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.592994 (E_RNA)
where:
Base-Base interactions energy: -377.910
where: short stacking energy: -168.897
Base-Backbone interact. energy: -0.155
local terms energy: -198.527892
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -38.713
flat angles C4'-P-C4' energy: -41.329
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -55.154
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: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -560.762084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.762084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.762084 (E_RNA)
where:
Base-Base interactions energy: -367.842
where: short stacking energy: -176.580
Base-Backbone interact. energy: -0.493
local terms energy: -192.427465
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -39.268
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -50.431
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: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -531.350643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.350643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.350643 (E_RNA)
where:
Base-Base interactions energy: -349.393
where: short stacking energy: -153.140
Base-Backbone interact. energy: -0.826
local terms energy: -181.131286
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -38.692
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -45.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -412.792856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.792856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.792856 (E_RNA)
where:
Base-Base interactions energy: -257.474
where: short stacking energy: -121.158
Base-Backbone interact. energy: 9.177
local terms energy: -164.496264
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -38.169
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -21.711
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -204.744269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744269 (E_RNA)
where:
Base-Base interactions energy: -85.577
where: short stacking energy: -62.615
Base-Backbone interact. energy: 2.451
local terms energy: -121.617745
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: 6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -193.710700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.710700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.710700 (E_RNA)
where:
Base-Base interactions energy: -71.327
where: short stacking energy: -44.635
Base-Backbone interact. energy: -0.283
local terms energy: -122.101104
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: 0.766
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: 242
Temperature: 1.350000
Total energy: -170.237824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.237824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.237824 (E_RNA)
where:
Base-Base interactions energy: -54.614
where: short stacking energy: -47.087
Base-Backbone interact. energy: 0.579
local terms energy: -116.203279
where:
bonds (distance) C4'-P energy: -36.012
bonds (distance) P-C4' energy: -37.383
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -671.326972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.326972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.326972 (E_RNA)
where:
Base-Base interactions energy: -440.710
where: short stacking energy: -199.528
Base-Backbone interact. energy: -0.919
local terms energy: -229.697939
where:
bonds (distance) C4'-P energy: -35.923
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: -67.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -646.147843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.147843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.147843 (E_RNA)
where:
Base-Base interactions energy: -427.208
where: short stacking energy: -193.099
Base-Backbone interact. energy: -0.097
local terms energy: -218.842556
where:
bonds (distance) C4'-P energy: -40.150
bonds (distance) P-C4' energy: -40.060
flat angles C4'-P-C4' energy: -44.454
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -62.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -603.516496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.516496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.516496 (E_RNA)
where:
Base-Base interactions energy: -393.850
where: short stacking energy: -178.927
Base-Backbone interact. energy: -0.375
local terms energy: -209.292345
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -48.248
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: -61.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -584.796278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.796278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.796278 (E_RNA)
where:
Base-Base interactions energy: -376.812
where: short stacking energy: -175.276
Base-Backbone interact. energy: -0.352
local terms energy: -207.632499
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -46.261
flat angles P-C4'-P energy: -30.581
tors. eta vs tors. theta energy: -58.984
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: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -552.770006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.770006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.770006 (E_RNA)
where:
Base-Base interactions energy: -358.358
where: short stacking energy: -153.479
Base-Backbone interact. energy: 0.014
local terms energy: -194.425183
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -38.995
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -53.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -548.548129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.548129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.548129 (E_RNA)
where:
Base-Base interactions energy: -363.271
where: short stacking energy: -152.635
Base-Backbone interact. energy: -1.113
local terms energy: -184.164084
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -43.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -435.446542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.446542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.446542 (E_RNA)
where:
Base-Base interactions energy: -284.106
where: short stacking energy: -118.779
Base-Backbone interact. energy: -0.322
local terms energy: -151.018188
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -36.293
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -182.657722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.657722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.657722 (E_RNA)
where:
Base-Base interactions energy: -60.438
where: short stacking energy: -59.817
Base-Backbone interact. energy: -1.547
local terms energy: -120.673209
where:
bonds (distance) C4'-P energy: -33.443
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -186.232520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.232520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.232520 (E_RNA)
where:
Base-Base interactions energy: -63.577
where: short stacking energy: -50.620
Base-Backbone interact. energy: -1.014
local terms energy: -121.641504
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -33.844
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -182.261971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.261971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.261971 (E_RNA)
where:
Base-Base interactions energy: -64.606
where: short stacking energy: -62.401
Base-Backbone interact. energy: 0.702
local terms energy: -118.357990
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -15.680
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: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -684.381978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.381978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.381978 (E_RNA)
where:
Base-Base interactions energy: -453.474
where: short stacking energy: -209.827
Base-Backbone interact. energy: -0.394
local terms energy: -230.513824
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -42.192
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -31.739
tors. eta vs tors. theta energy: -71.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -652.287094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.287094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.287094 (E_RNA)
where:
Base-Base interactions energy: -421.856
where: short stacking energy: -193.531
Base-Backbone interact. energy: 0.265
local terms energy: -230.696623
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -32.660
tors. eta vs tors. theta energy: -66.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -625.531693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.531693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.531693 (E_RNA)
where:
Base-Base interactions energy: -404.924
where: short stacking energy: -186.623
Base-Backbone interact. energy: -0.140
local terms energy: -220.467623
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -46.281
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -61.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -588.509285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.509285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.509285 (E_RNA)
where:
Base-Base interactions energy: -387.776
where: short stacking energy: -169.819
Base-Backbone interact. energy: -0.164
local terms energy: -200.569744
where:
bonds (distance) C4'-P energy: -40.143
bonds (distance) P-C4' energy: -39.385
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -55.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -577.794404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.794404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.794404 (E_RNA)
where:
Base-Base interactions energy: -382.171
where: short stacking energy: -162.176
Base-Backbone interact. energy: -0.547
local terms energy: -195.076886
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -43.090
flat angles P-C4'-P energy: -30.233
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: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -542.032609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.032609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.032609 (E_RNA)
where:
Base-Base interactions energy: -357.852
where: short stacking energy: -168.554
Base-Backbone interact. energy: -0.323
local terms energy: -183.858032
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -25.081
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -405.008480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.008480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.008480 (E_RNA)
where:
Base-Base interactions energy: -256.966
where: short stacking energy: -118.103
Base-Backbone interact. energy: 1.308
local terms energy: -149.349613
where:
bonds (distance) C4'-P energy: -38.841
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -206.364009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.364009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.364009 (E_RNA)
where:
Base-Base interactions energy: -67.511
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.919
local terms energy: -137.934085
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -8.831
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: 244
Temperature: 1.300000
Total energy: -178.273289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.273289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.273289 (E_RNA)
where:
Base-Base interactions energy: -62.659
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.663
local terms energy: -114.951461
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -33.036
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: 2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -161.083075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.083075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.083075 (E_RNA)
where:
Base-Base interactions energy: -59.392
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.056
local terms energy: -101.634892
where:
bonds (distance) C4'-P energy: -34.084
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: 13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -672.849128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.849128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.849128 (E_RNA)
where:
Base-Base interactions energy: -450.335
where: short stacking energy: -203.898
Base-Backbone interact. energy: 0.286
local terms energy: -222.799749
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -62.712
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: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -657.626274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.626274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.626274 (E_RNA)
where:
Base-Base interactions energy: -436.699
where: short stacking energy: -201.370
Base-Backbone interact. energy: -0.101
local terms energy: -220.826427
where:
bonds (distance) C4'-P energy: -36.490
bonds (distance) P-C4' energy: -38.722
flat angles C4'-P-C4' energy: -46.225
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -67.274
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: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -629.300609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.300609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.300609 (E_RNA)
where:
Base-Base interactions energy: -423.972
where: short stacking energy: -176.721
Base-Backbone interact. energy: 0.862
local terms energy: -206.191181
where:
bonds (distance) C4'-P energy: -41.926
bonds (distance) P-C4' energy: -41.420
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -56.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -579.378911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.378911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.378911 (E_RNA)
where:
Base-Base interactions energy: -392.096
where: short stacking energy: -152.615
Base-Backbone interact. energy: -0.499
local terms energy: -186.783525
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -47.476
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: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -550.350251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.350251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.350251 (E_RNA)
where:
Base-Base interactions energy: -369.996
where: short stacking energy: -149.839
Base-Backbone interact. energy: -1.297
local terms energy: -179.057304
where:
bonds (distance) C4'-P energy: -38.585
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -27.217
tors. eta vs tors. theta energy: -38.445
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: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -524.172597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.172597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.172597 (E_RNA)
where:
Base-Base interactions energy: -345.560
where: short stacking energy: -154.009
Base-Backbone interact. energy: -0.219
local terms energy: -178.393196
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -34.962
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -43.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -399.991071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.991071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.991071 (E_RNA)
where:
Base-Base interactions energy: -243.505
where: short stacking energy: -102.545
Base-Backbone interact. energy: -0.198
local terms energy: -156.288054
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -41.236
flat angles C4'-P-C4' energy: -38.962
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -197.406855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.406855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.406855 (E_RNA)
where:
Base-Base interactions energy: -79.936
where: short stacking energy: -51.984
Base-Backbone interact. energy: 0.388
local terms energy: -117.859254
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -43.995
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -1.705
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: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -177.987555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.987555 (E_RNA)
where:
Base-Base interactions energy: -63.547
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.807
local terms energy: -113.633274
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -32.769
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: 8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -163.880539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.880539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.880539 (E_RNA)
where:
Base-Base interactions energy: -67.579
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.511
local terms energy: -95.791217
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: 11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -666.791118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.791118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.791118 (E_RNA)
where:
Base-Base interactions energy: -440.280
where: short stacking energy: -204.978
Base-Backbone interact. energy: -0.182
local terms energy: -226.328713
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -42.382
flat angles C4'-P-C4' energy: -45.175
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -66.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -660.676809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.676809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.676809 (E_RNA)
where:
Base-Base interactions energy: -437.951
where: short stacking energy: -202.632
Base-Backbone interact. energy: -0.150
local terms energy: -222.575604
where:
bonds (distance) C4'-P energy: -40.387
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -67.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -647.395112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.395112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.395112 (E_RNA)
where:
Base-Base interactions energy: -426.091
where: short stacking energy: -198.113
Base-Backbone interact. energy: -0.665
local terms energy: -220.638357
where:
bonds (distance) C4'-P energy: -43.392
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -44.262
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -65.360
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -586.981995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.981995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.981995 (E_RNA)
where:
Base-Base interactions energy: -394.285
where: short stacking energy: -162.707
Base-Backbone interact. energy: -0.167
local terms energy: -192.529889
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: -47.455
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: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -573.584247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.584247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.584247 (E_RNA)
where:
Base-Base interactions energy: -381.802
where: short stacking energy: -166.982
Base-Backbone interact. energy: -0.337
local terms energy: -191.445303
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -34.519
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -46.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -534.061439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.061439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.061439 (E_RNA)
where:
Base-Base interactions energy: -361.862
where: short stacking energy: -155.815
Base-Backbone interact. energy: -0.409
local terms energy: -171.790509
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -40.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -411.581390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.581390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.581390 (E_RNA)
where:
Base-Base interactions energy: -276.721
where: short stacking energy: -135.797
Base-Backbone interact. energy: -0.874
local terms energy: -133.986916
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -37.264
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -213.421927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.421927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.421927 (E_RNA)
where:
Base-Base interactions energy: -95.322
where: short stacking energy: -50.595
Base-Backbone interact. energy: -2.431
local terms energy: -115.668684
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: 4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -188.982848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.982848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.982848 (E_RNA)
where:
Base-Base interactions energy: -68.612
where: short stacking energy: -44.307
Base-Backbone interact. energy: 0.192
local terms energy: -120.562629
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -39.681
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -171.663874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663874 (E_RNA)
where:
Base-Base interactions energy: -75.676
where: short stacking energy: -43.020
Base-Backbone interact. energy: 2.261
local terms energy: -98.248599
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: 10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -683.787005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.787005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.787005 (E_RNA)
where:
Base-Base interactions energy: -447.931
where: short stacking energy: -209.715
Base-Backbone interact. energy: -0.025
local terms energy: -235.830773
where:
bonds (distance) C4'-P energy: -43.717
bonds (distance) P-C4' energy: -38.905
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -33.626
tors. eta vs tors. theta energy: -70.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -651.006895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.006895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.006895 (E_RNA)
where:
Base-Base interactions energy: -433.668
where: short stacking energy: -187.215
Base-Backbone interact. energy: -0.669
local terms energy: -216.669830
where:
bonds (distance) C4'-P energy: -37.677
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -50.390
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -58.690
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: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -636.596765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.596765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.596765 (E_RNA)
where:
Base-Base interactions energy: -430.891
where: short stacking energy: -188.987
Base-Backbone interact. energy: -0.965
local terms energy: -204.741719
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -44.846
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -60.653
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: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -584.169198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.169198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.169198 (E_RNA)
where:
Base-Base interactions energy: -392.684
where: short stacking energy: -166.283
Base-Backbone interact. energy: 0.004
local terms energy: -191.488541
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -41.269
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -47.645
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: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -558.405943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.405943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.405943 (E_RNA)
where:
Base-Base interactions energy: -377.417
where: short stacking energy: -148.143
Base-Backbone interact. energy: -0.187
local terms energy: -180.801748
where:
bonds (distance) C4'-P energy: -39.329
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -41.526
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -43.023
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: 247
Temperature: 1.150000
Total energy: -526.920803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.920803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.920803 (E_RNA)
where:
Base-Base interactions energy: -349.656
where: short stacking energy: -168.019
Base-Backbone interact. energy: -0.630
local terms energy: -176.634318
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -37.752
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -53.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -436.755422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.755422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.755422 (E_RNA)
where:
Base-Base interactions energy: -277.541
where: short stacking energy: -119.810
Base-Backbone interact. energy: -0.379
local terms energy: -158.834930
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -30.395
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -217.261863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.261863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261863 (E_RNA)
where:
Base-Base interactions energy: -90.697
where: short stacking energy: -83.011
Base-Backbone interact. energy: 0.081
local terms energy: -126.646060
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -34.543
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -201.594092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.594092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.594092 (E_RNA)
where:
Base-Base interactions energy: -76.661
where: short stacking energy: -56.818
Base-Backbone interact. energy: -1.240
local terms energy: -123.693527
where:
bonds (distance) C4'-P energy: -30.501
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -188.408977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.408977 (E_RNA)
where:
Base-Base interactions energy: -69.517
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.853
local terms energy: -118.039392
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -660.827282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.827282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.827282 (E_RNA)
where:
Base-Base interactions energy: -451.111
where: short stacking energy: -196.863
Base-Backbone interact. energy: 1.461
local terms energy: -211.177239
where:
bonds (distance) C4'-P energy: -41.092
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -43.760
flat angles P-C4'-P energy: -35.040
tors. eta vs tors. theta energy: -62.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -653.226068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.226068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.226068 (E_RNA)
where:
Base-Base interactions energy: -448.420
where: short stacking energy: -204.828
Base-Backbone interact. energy: -0.588
local terms energy: -204.218125
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -40.295
flat angles C4'-P-C4' energy: -43.541
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -68.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -647.546750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.546750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.546750 (E_RNA)
where:
Base-Base interactions energy: -436.834
where: short stacking energy: -201.591
Base-Backbone interact. energy: -0.817
local terms energy: -209.895938
where:
bonds (distance) C4'-P energy: -36.433
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -40.783
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -65.204
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: 248
Temperature: 1.050000
Total energy: -569.795366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.795366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.795366 (E_RNA)
where:
Base-Base interactions energy: -380.108
where: short stacking energy: -164.779
Base-Backbone interact. energy: -0.032
local terms energy: -189.655188
where:
bonds (distance) C4'-P energy: -37.017
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -48.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -557.019261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.019261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.019261 (E_RNA)
where:
Base-Base interactions energy: -376.571
where: short stacking energy: -161.300
Base-Backbone interact. energy: 0.726
local terms energy: -181.174422
where:
bonds (distance) C4'-P energy: -36.635
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -38.171
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -48.948
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: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -546.215870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.215870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.215870 (E_RNA)
where:
Base-Base interactions energy: -369.135
where: short stacking energy: -155.058
Base-Backbone interact. energy: 0.069
local terms energy: -177.149991
where:
bonds (distance) C4'-P energy: -38.362
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -38.309
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -44.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -442.490199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.490199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.490199 (E_RNA)
where:
Base-Base interactions energy: -282.489
where: short stacking energy: -139.142
Base-Backbone interact. energy: -0.322
local terms energy: -159.678432
where:
bonds (distance) C4'-P energy: -33.401
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -37.125
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -35.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -198.415080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.415080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.415080 (E_RNA)
where:
Base-Base interactions energy: -72.342
where: short stacking energy: -69.442
Base-Backbone interact. energy: 0.439
local terms energy: -126.512395
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -38.625
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -184.986542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.986542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.986542 (E_RNA)
where:
Base-Base interactions energy: -47.587
where: short stacking energy: -31.814
Base-Backbone interact. energy: 1.003
local terms energy: -138.402334
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: 6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -170.421672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.421672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.421672 (E_RNA)
where:
Base-Base interactions energy: -74.155
where: short stacking energy: -43.585
Base-Backbone interact. energy: 2.156
local terms energy: -98.422477
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: 13.469
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: 249
Temperature: 0.900000
Total energy: -655.579000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.579000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.579000 (E_RNA)
where:
Base-Base interactions energy: -430.459
where: short stacking energy: -192.109
Base-Backbone interact. energy: -0.788
local terms energy: -224.331669
where:
bonds (distance) C4'-P energy: -44.426
bonds (distance) P-C4' energy: -40.483
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -30.590
tors. eta vs tors. theta energy: -62.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -665.664604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.664604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.664604 (E_RNA)
where:
Base-Base interactions energy: -447.734
where: short stacking energy: -205.222
Base-Backbone interact. energy: -0.434
local terms energy: -217.496317
where:
bonds (distance) C4'-P energy: -39.697
bonds (distance) P-C4' energy: -44.294
flat angles C4'-P-C4' energy: -45.910
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -65.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -637.352175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.352175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.352175 (E_RNA)
where:
Base-Base interactions energy: -414.781
where: short stacking energy: -197.471
Base-Backbone interact. energy: -0.232
local terms energy: -222.339249
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -42.311
flat angles P-C4'-P energy: -34.490
tors. eta vs tors. theta energy: -69.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -553.054000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.054000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.054000 (E_RNA)
where:
Base-Base interactions energy: -370.462
where: short stacking energy: -179.683
Base-Backbone interact. energy: -0.419
local terms energy: -182.173197
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -59.075
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: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -552.342876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.342876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.342876 (E_RNA)
where:
Base-Base interactions energy: -355.446
where: short stacking energy: -159.266
Base-Backbone interact. energy: -0.166
local terms energy: -196.730732
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -45.416
flat angles C4'-P-C4' energy: -39.701
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: -55.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -512.752224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.752224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.752224 (E_RNA)
where:
Base-Base interactions energy: -336.062
where: short stacking energy: -128.214
Base-Backbone interact. energy: -0.708
local terms energy: -175.981948
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -37.422
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -40.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -448.452418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.452418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.452418 (E_RNA)
where:
Base-Base interactions energy: -291.780
where: short stacking energy: -135.986
Base-Backbone interact. energy: 0.348
local terms energy: -157.020276
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -42.025
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -38.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -201.152617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.152617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.152617 (E_RNA)
where:
Base-Base interactions energy: -85.553
where: short stacking energy: -63.649
Base-Backbone interact. energy: -1.209
local terms energy: -114.390682
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -201.450931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.450931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.450931 (E_RNA)
where:
Base-Base interactions energy: -87.906
where: short stacking energy: -67.161
Base-Backbone interact. energy: 2.701
local terms energy: -116.246055
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -37.908
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -174.171461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.171461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.171461 (E_RNA)
where:
Base-Base interactions energy: -59.150
where: short stacking energy: -46.691
Base-Backbone interact. energy: -1.790
local terms energy: -113.231146
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: 5.967
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: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -675.922867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.922867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.922867 (E_RNA)
where:
Base-Base interactions energy: -460.896
where: short stacking energy: -207.917
Base-Backbone interact. energy: -0.365
local terms energy: -214.661387
where:
bonds (distance) C4'-P energy: -38.807
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -62.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -634.325410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.325410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.325410 (E_RNA)
where:
Base-Base interactions energy: -416.269
where: short stacking energy: -193.107
Base-Backbone interact. energy: -0.335
local terms energy: -217.721255
where:
bonds (distance) C4'-P energy: -38.416
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -46.003
flat angles P-C4'-P energy: -29.889
tors. eta vs tors. theta energy: -63.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -629.652895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.652895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.652895 (E_RNA)
where:
Base-Base interactions energy: -419.909
where: short stacking energy: -193.595
Base-Backbone interact. energy: -0.518
local terms energy: -209.225293
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -40.308
flat angles C4'-P-C4' energy: -43.556
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -62.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -579.209637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.209637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.209637 (E_RNA)
where:
Base-Base interactions energy: -393.192
where: short stacking energy: -185.444
Base-Backbone interact. energy: -0.431
local terms energy: -185.586998
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -37.637
flat angles C4'-P-C4' energy: -40.658
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -50.269
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: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -537.526723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.526723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.526723 (E_RNA)
where:
Base-Base interactions energy: -357.309
where: short stacking energy: -162.551
Base-Backbone interact. energy: -0.595
local terms energy: -179.622417
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -37.971
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -43.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -486.862373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.862373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.862373 (E_RNA)
where:
Base-Base interactions energy: -317.414
where: short stacking energy: -137.840
Base-Backbone interact. energy: -0.963
local terms energy: -168.485827
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -35.985
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -38.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -435.408254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.408254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.408254 (E_RNA)
where:
Base-Base interactions energy: -290.908
where: short stacking energy: -113.735
Base-Backbone interact. energy: 2.097
local terms energy: -146.596932
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -202.446894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.446894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.446894 (E_RNA)
where:
Base-Base interactions energy: -74.581
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.463
local terms energy: -127.403611
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -39.134
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -171.451453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.451453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.451453 (E_RNA)
where:
Base-Base interactions energy: -57.741
where: short stacking energy: -53.990
Base-Backbone interact. energy: -2.389
local terms energy: -111.321261
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -36.428
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: 3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -172.021798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.021798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.021798 (E_RNA)
where:
Base-Base interactions energy: -67.353
where: short stacking energy: -36.214
Base-Backbone interact. energy: 3.229
local terms energy: -107.897581
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -39.324
flat angles C4'-P-C4' energy: -35.838
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: 13.311
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: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -678.995473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.995473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.995473 (E_RNA)
where:
Base-Base interactions energy: -452.205
where: short stacking energy: -196.705
Base-Backbone interact. energy: -0.394
local terms energy: -226.396256
where:
bonds (distance) C4'-P energy: -43.831
bonds (distance) P-C4' energy: -46.131
flat angles C4'-P-C4' energy: -45.357
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -61.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -639.703162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.703162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.703162 (E_RNA)
where:
Base-Base interactions energy: -433.171
where: short stacking energy: -197.832
Base-Backbone interact. energy: -0.279
local terms energy: -206.253185
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -40.609
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -61.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -615.818556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.818556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.818556 (E_RNA)
where:
Base-Base interactions energy: -408.059
where: short stacking energy: -189.512
Base-Backbone interact. energy: -0.165
local terms energy: -207.593911
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -29.583
tors. eta vs tors. theta energy: -60.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -565.951763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.951763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.951763 (E_RNA)
where:
Base-Base interactions energy: -368.754
where: short stacking energy: -166.743
Base-Backbone interact. energy: -0.800
local terms energy: -196.397824
where:
bonds (distance) C4'-P energy: -37.558
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -31.217
tors. eta vs tors. theta energy: -53.104
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: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -585.309618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.309618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.309618 (E_RNA)
where:
Base-Base interactions energy: -377.600
where: short stacking energy: -172.964
Base-Backbone interact. energy: -0.046
local terms energy: -207.663635
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -59.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -498.354495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.354495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.354495 (E_RNA)
where:
Base-Base interactions energy: -327.840
where: short stacking energy: -146.856
Base-Backbone interact. energy: 5.160
local terms energy: -175.674365
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -41.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -462.428364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.428364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.428364 (E_RNA)
where:
Base-Base interactions energy: -291.829
where: short stacking energy: -142.625
Base-Backbone interact. energy: -1.028
local terms energy: -169.570967
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -272.104609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.104609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.104609 (E_RNA)
where:
Base-Base interactions energy: -127.099
where: short stacking energy: -80.900
Base-Backbone interact. energy: -1.497
local terms energy: -143.508629
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -185.243403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.243403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.243403 (E_RNA)
where:
Base-Base interactions energy: -60.365
where: short stacking energy: -58.180
Base-Backbone interact. energy: 1.325
local terms energy: -126.203326
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -154.190781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.190781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.190781 (E_RNA)
where:
Base-Base interactions energy: -47.796
where: short stacking energy: -40.083
Base-Backbone interact. energy: 2.217
local terms energy: -108.611542
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -654.399060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.399060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.399060 (E_RNA)
where:
Base-Base interactions energy: -427.801
where: short stacking energy: -201.327
Base-Backbone interact. energy: -0.217
local terms energy: -226.381440
where:
bonds (distance) C4'-P energy: -43.084
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -48.402
flat angles P-C4'-P energy: -37.295
tors. eta vs tors. theta energy: -62.531
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: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -662.797198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.797198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.797198 (E_RNA)
where:
Base-Base interactions energy: -441.515
where: short stacking energy: -191.965
Base-Backbone interact. energy: 0.239
local terms energy: -221.520850
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -30.404
tors. eta vs tors. theta energy: -61.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -614.904842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.904842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.904842 (E_RNA)
where:
Base-Base interactions energy: -408.172
where: short stacking energy: -192.369
Base-Backbone interact. energy: -0.514
local terms energy: -206.218495
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -29.374
tors. eta vs tors. theta energy: -59.960
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: 252
Temperature: 1.050000
Total energy: -576.444723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.444723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.444723 (E_RNA)
where:
Base-Base interactions energy: -385.494
where: short stacking energy: -184.463
Base-Backbone interact. energy: -0.230
local terms energy: -190.720624
where:
bonds (distance) C4'-P energy: -36.715
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -43.564
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -55.773
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: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -564.944655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.944655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.944655 (E_RNA)
where:
Base-Base interactions energy: -369.881
where: short stacking energy: -164.039
Base-Backbone interact. energy: 0.628
local terms energy: -195.691534
where:
bonds (distance) C4'-P energy: -42.389
bonds (distance) P-C4' energy: -38.154
flat angles C4'-P-C4' energy: -42.552
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -45.469
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: 252
Temperature: 1.150000
Total energy: -505.253538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.253538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.253538 (E_RNA)
where:
Base-Base interactions energy: -336.313
where: short stacking energy: -149.729
Base-Backbone interact. energy: -0.622
local terms energy: -168.318358
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -38.335
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -44.708
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: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -428.173151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.173151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.173151 (E_RNA)
where:
Base-Base interactions energy: -260.089
where: short stacking energy: -117.402
Base-Backbone interact. energy: 0.367
local terms energy: -168.451161
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -28.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -266.849215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.849215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.849215 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -74.467
Base-Backbone interact. energy: -0.868
local terms energy: -136.571980
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -43.150
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -187.445965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.445965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.445965 (E_RNA)
where:
Base-Base interactions energy: -56.409
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.474
local terms energy: -130.563697
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -187.174962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.174962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.174962 (E_RNA)
where:
Base-Base interactions energy: -74.111
where: short stacking energy: -51.177
Base-Backbone interact. energy: 2.819
local terms energy: -115.883098
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -39.671
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: 4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -654.138629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.138629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.138629 (E_RNA)
where:
Base-Base interactions energy: -432.980
where: short stacking energy: -197.055
Base-Backbone interact. energy: -0.618
local terms energy: -220.540049
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -43.759
flat angles C4'-P-C4' energy: -44.537
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -59.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -624.021608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.021608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.021608 (E_RNA)
where:
Base-Base interactions energy: -417.511
where: short stacking energy: -177.424
Base-Backbone interact. energy: -3.193
local terms energy: -203.317643
where:
bonds (distance) C4'-P energy: -34.115
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -48.207
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -59.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -649.647807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.647807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.647807 (E_RNA)
where:
Base-Base interactions energy: -445.120
where: short stacking energy: -195.022
Base-Backbone interact. energy: -0.511
local terms energy: -204.016860
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -40.891
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -62.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -568.969745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.969745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.969745 (E_RNA)
where:
Base-Base interactions energy: -375.239
where: short stacking energy: -165.793
Base-Backbone interact. energy: -0.143
local terms energy: -193.587891
where:
bonds (distance) C4'-P energy: -39.679
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -47.005
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -49.795
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: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -577.836069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.836069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.836069 (E_RNA)
where:
Base-Base interactions energy: -385.748
where: short stacking energy: -184.655
Base-Backbone interact. energy: 0.402
local terms energy: -192.489869
where:
bonds (distance) C4'-P energy: -36.735
bonds (distance) P-C4' energy: -35.281
flat angles C4'-P-C4' energy: -41.565
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -49.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -519.585181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.585181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.585181 (E_RNA)
where:
Base-Base interactions energy: -345.265
where: short stacking energy: -134.276
Base-Backbone interact. energy: -0.346
local terms energy: -173.974783
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -37.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -417.210201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.210201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.210201 (E_RNA)
where:
Base-Base interactions energy: -261.561
where: short stacking energy: -120.076
Base-Backbone interact. energy: -0.430
local terms energy: -155.218726
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -31.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -212.343009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.343009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.343009 (E_RNA)
where:
Base-Base interactions energy: -83.494
where: short stacking energy: -43.340
Base-Backbone interact. energy: 0.014
local terms energy: -128.863622
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -33.421
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: 5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -242.570551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.570551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.570551 (E_RNA)
where:
Base-Base interactions energy: -128.326
where: short stacking energy: -65.582
Base-Backbone interact. energy: 2.331
local terms energy: -116.575644
where:
bonds (distance) C4'-P energy: -37.740
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -177.628151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.628151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.628151 (E_RNA)
where:
Base-Base interactions energy: -82.433
where: short stacking energy: -48.217
Base-Backbone interact. energy: 1.393
local terms energy: -96.588839
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -39.271
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: 5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -648.659292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.659292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.659292 (E_RNA)
where:
Base-Base interactions energy: -429.707
where: short stacking energy: -188.112
Base-Backbone interact. energy: -1.615
local terms energy: -217.337155
where:
bonds (distance) C4'-P energy: -42.728
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -44.999
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -57.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -644.402173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.402173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.402173 (E_RNA)
where:
Base-Base interactions energy: -425.859
where: short stacking energy: -196.578
Base-Backbone interact. energy: 3.467
local terms energy: -222.010225
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -38.302
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -66.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -644.140181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.140181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.140181 (E_RNA)
where:
Base-Base interactions energy: -435.622
where: short stacking energy: -199.371
Base-Backbone interact. energy: -1.118
local terms energy: -207.400148
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -38.029
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -60.437
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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -577.037478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.037478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.037478 (E_RNA)
where:
Base-Base interactions energy: -383.816
where: short stacking energy: -156.143
Base-Backbone interact. energy: 1.933
local terms energy: -195.154872
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -41.798
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -41.333
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: 254
Temperature: 1.100000
Total energy: -555.492674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.492674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.492674 (E_RNA)
where:
Base-Base interactions energy: -369.879
where: short stacking energy: -168.437
Base-Backbone interact. energy: -1.117
local terms energy: -184.496723
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -38.061
flat angles P-C4'-P energy: -21.929
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: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -525.606907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.606907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.606907 (E_RNA)
where:
Base-Base interactions energy: -340.211
where: short stacking energy: -148.134
Base-Backbone interact. energy: -1.134
local terms energy: -184.262373
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -39.990
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -46.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -444.531005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.531005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.531005 (E_RNA)
where:
Base-Base interactions energy: -286.415
where: short stacking energy: -114.637
Base-Backbone interact. energy: -1.471
local terms energy: -156.645501
where:
bonds (distance) C4'-P energy: -40.968
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -19.459
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -212.955794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.955794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.955794 (E_RNA)
where:
Base-Base interactions energy: -94.748
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.125
local terms energy: -118.082498
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -8.841
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: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -262.602552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.602552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.602552 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -87.041
Base-Backbone interact. energy: -0.670
local terms energy: -124.007462
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -36.282
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -10.655
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -164.625500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.625500 (E_RNA)
where:
Base-Base interactions energy: -71.553
where: short stacking energy: -44.617
Base-Backbone interact. energy: 0.164
local terms energy: -93.237316
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: 1.407
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: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -660.054066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.054066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.054066 (E_RNA)
where:
Base-Base interactions energy: -436.406
where: short stacking energy: -195.127
Base-Backbone interact. energy: -1.362
local terms energy: -222.286519
where:
bonds (distance) C4'-P energy: -39.582
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -47.447
flat angles P-C4'-P energy: -32.934
tors. eta vs tors. theta energy: -59.748
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: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -650.835169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.835169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.835169 (E_RNA)
where:
Base-Base interactions energy: -426.205
where: short stacking energy: -196.016
Base-Backbone interact. energy: -0.815
local terms energy: -223.815323
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -59.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -657.473541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.473541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.473541 (E_RNA)
where:
Base-Base interactions energy: -436.368
where: short stacking energy: -206.062
Base-Backbone interact. energy: -0.009
local terms energy: -221.096423
where:
bonds (distance) C4'-P energy: -37.404
bonds (distance) P-C4' energy: -41.284
flat angles C4'-P-C4' energy: -45.998
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: -66.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -583.129315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.129315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.129315 (E_RNA)
where:
Base-Base interactions energy: -383.242
where: short stacking energy: -168.292
Base-Backbone interact. energy: -0.300
local terms energy: -199.587391
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -38.986
flat angles C4'-P-C4' energy: -38.564
flat angles P-C4'-P energy: -32.136
tors. eta vs tors. theta energy: -49.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -551.985177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.985177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.985177 (E_RNA)
where:
Base-Base interactions energy: -371.828
where: short stacking energy: -152.337
Base-Backbone interact. energy: -1.506
local terms energy: -178.651452
where:
bonds (distance) C4'-P energy: -43.571
bonds (distance) P-C4' energy: -39.035
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -37.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -489.461643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.461643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.461643 (E_RNA)
where:
Base-Base interactions energy: -330.797
where: short stacking energy: -139.221
Base-Backbone interact. energy: -1.076
local terms energy: -157.588302
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -469.354590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.354590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.354590 (E_RNA)
where:
Base-Base interactions energy: -303.610
where: short stacking energy: -140.960
Base-Backbone interact. energy: -1.138
local terms energy: -164.606303
where:
bonds (distance) C4'-P energy: -36.398
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -38.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -282.265152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.265152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.265152 (E_RNA)
where:
Base-Base interactions energy: -158.271
where: short stacking energy: -90.594
Base-Backbone interact. energy: 0.218
local terms energy: -124.211608
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -39.059
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -11.241
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: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -181.939759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.939759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.939759 (E_RNA)
where:
Base-Base interactions energy: -56.189
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.829
local terms energy: -124.921895
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: 3.200
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: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -178.384974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.384974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.384974 (E_RNA)
where:
Base-Base interactions energy: -75.893
where: short stacking energy: -55.605
Base-Backbone interact. energy: 2.959
local terms energy: -105.450509
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -8.120
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: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -661.595615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.595615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.595615 (E_RNA)
where:
Base-Base interactions energy: -443.095
where: short stacking energy: -202.025
Base-Backbone interact. energy: -0.406
local terms energy: -218.095002
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -38.436
flat angles C4'-P-C4' energy: -46.881
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -65.626
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: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -649.960545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.960545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.960545 (E_RNA)
where:
Base-Base interactions energy: -428.896
where: short stacking energy: -186.294
Base-Backbone interact. energy: -0.453
local terms energy: -220.611600
where:
bonds (distance) C4'-P energy: -37.535
bonds (distance) P-C4' energy: -43.513
flat angles C4'-P-C4' energy: -47.117
flat angles P-C4'-P energy: -30.741
tors. eta vs tors. theta energy: -61.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -648.071423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.071423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.071423 (E_RNA)
where:
Base-Base interactions energy: -437.863
where: short stacking energy: -190.591
Base-Backbone interact. energy: -0.573
local terms energy: -209.635737
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -36.538
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -67.381
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: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -592.778125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.778125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.778125 (E_RNA)
where:
Base-Base interactions energy: -399.929
where: short stacking energy: -167.083
Base-Backbone interact. energy: 0.150
local terms energy: -192.999355
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -36.835
flat angles P-C4'-P energy: -32.313
tors. eta vs tors. theta energy: -53.179
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: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -495.716739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.716739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.716739 (E_RNA)
where:
Base-Base interactions energy: -321.862
where: short stacking energy: -141.638
Base-Backbone interact. energy: -0.778
local terms energy: -173.077270
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -20.734
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: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -497.419477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.419477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.419477 (E_RNA)
where:
Base-Base interactions energy: -322.774
where: short stacking energy: -141.572
Base-Backbone interact. energy: -0.747
local terms energy: -173.898603
where:
bonds (distance) C4'-P energy: -33.154
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -453.829384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.829384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.829384 (E_RNA)
where:
Base-Base interactions energy: -292.911
where: short stacking energy: -136.268
Base-Backbone interact. energy: -0.396
local terms energy: -160.521774
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -38.294
flat angles P-C4'-P energy: -26.307
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -273.589465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.589465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.589465 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -82.764
Base-Backbone interact. energy: 0.574
local terms energy: -123.680813
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -194.759817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.759817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.759817 (E_RNA)
where:
Base-Base interactions energy: -62.324
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.084
local terms energy: -132.352504
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -34.700
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -165.407469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.407469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.407469 (E_RNA)
where:
Base-Base interactions energy: -59.712
where: short stacking energy: -41.023
Base-Backbone interact. energy: -0.410
local terms energy: -105.285646
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -37.772
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: 11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -657.494666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.494666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.494666 (E_RNA)
where:
Base-Base interactions energy: -432.059
where: short stacking energy: -196.154
Base-Backbone interact. energy: -0.420
local terms energy: -225.016003
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -42.039
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -69.190
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: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -669.644624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.644624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.644624 (E_RNA)
where:
Base-Base interactions energy: -443.583
where: short stacking energy: -193.421
Base-Backbone interact. energy: -0.421
local terms energy: -225.640301
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -46.035
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -63.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -633.809390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.809390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.809390 (E_RNA)
where:
Base-Base interactions energy: -415.087
where: short stacking energy: -185.003
Base-Backbone interact. energy: -0.042
local terms energy: -218.680133
where:
bonds (distance) C4'-P energy: -42.067
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -50.582
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -65.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -576.331808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.331808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.331808 (E_RNA)
where:
Base-Base interactions energy: -383.943
where: short stacking energy: -179.412
Base-Backbone interact. energy: -0.104
local terms energy: -192.285122
where:
bonds (distance) C4'-P energy: -28.839
bonds (distance) P-C4' energy: -32.528
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -56.520
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: 257
Temperature: 1.100000
Total energy: -529.976854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.976854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.976854 (E_RNA)
where:
Base-Base interactions energy: -344.718
where: short stacking energy: -155.723
Base-Backbone interact. energy: -0.905
local terms energy: -184.353797
where:
bonds (distance) C4'-P energy: -37.375
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: -48.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -512.126320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.126320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.126320 (E_RNA)
where:
Base-Base interactions energy: -340.067
where: short stacking energy: -155.269
Base-Backbone interact. energy: -1.371
local terms energy: -170.688297
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -40.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -441.425728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.425728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.425728 (E_RNA)
where:
Base-Base interactions energy: -275.225
where: short stacking energy: -141.532
Base-Backbone interact. energy: -0.389
local terms energy: -165.811747
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -36.059
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -28.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -276.123374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.123374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.123374 (E_RNA)
where:
Base-Base interactions energy: -135.272
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.145
local terms energy: -140.705720
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -38.559
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -25.057
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -180.857551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.857551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.857551 (E_RNA)
where:
Base-Base interactions energy: -70.630
where: short stacking energy: -42.125
Base-Backbone interact. energy: 2.577
local terms energy: -112.805123
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -23.717
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -166.944963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.944963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.944963 (E_RNA)
where:
Base-Base interactions energy: -57.939
where: short stacking energy: -41.845
Base-Backbone interact. energy: -0.972
local terms energy: -108.034015
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -671.075719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.075719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.075719 (E_RNA)
where:
Base-Base interactions energy: -456.196
where: short stacking energy: -190.929
Base-Backbone interact. energy: -1.005
local terms energy: -213.874810
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -55.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -646.449864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.449864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.449864 (E_RNA)
where:
Base-Base interactions energy: -429.764
where: short stacking energy: -191.256
Base-Backbone interact. energy: -1.246
local terms energy: -215.439942
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -38.798
flat angles P-C4'-P energy: -33.552
tors. eta vs tors. theta energy: -57.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -634.621945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.621945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.621945 (E_RNA)
where:
Base-Base interactions energy: -413.190
where: short stacking energy: -204.167
Base-Backbone interact. energy: 0.537
local terms energy: -221.969127
where:
bonds (distance) C4'-P energy: -45.237
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -65.856
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: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -579.609460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.609460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.609460 (E_RNA)
where:
Base-Base interactions energy: -381.064
where: short stacking energy: -166.044
Base-Backbone interact. energy: -0.824
local terms energy: -197.721682
where:
bonds (distance) C4'-P energy: -36.751
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -42.368
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -51.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -544.588022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.588022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.588022 (E_RNA)
where:
Base-Base interactions energy: -360.564
where: short stacking energy: -152.199
Base-Backbone interact. energy: -0.352
local terms energy: -183.671992
where:
bonds (distance) C4'-P energy: -34.419
bonds (distance) P-C4' energy: -45.643
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -47.771
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: 258
Temperature: 1.150000
Total energy: -528.010754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.010754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.010754 (E_RNA)
where:
Base-Base interactions energy: -353.344
where: short stacking energy: -169.491
Base-Backbone interact. energy: 2.437
local terms energy: -177.103411
where:
bonds (distance) C4'-P energy: -40.732
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -42.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -427.615623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.615623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.615623 (E_RNA)
where:
Base-Base interactions energy: -278.487
where: short stacking energy: -136.052
Base-Backbone interact. energy: -0.621
local terms energy: -148.507313
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -32.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -330.272185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.272185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.272185 (E_RNA)
where:
Base-Base interactions energy: -182.498
where: short stacking energy: -105.048
Base-Backbone interact. energy: -0.223
local terms energy: -147.550809
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -39.991
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -179.315990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315990 (E_RNA)
where:
Base-Base interactions energy: -56.843
where: short stacking energy: -50.157
Base-Backbone interact. energy: 0.853
local terms energy: -123.326230
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -38.384
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -1.510
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: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -164.145612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.145612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.145612 (E_RNA)
where:
Base-Base interactions energy: -46.454
where: short stacking energy: -36.202
Base-Backbone interact. energy: 2.063
local terms energy: -119.755362
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: 5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -676.322369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.322369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.322369 (E_RNA)
where:
Base-Base interactions energy: -451.434
where: short stacking energy: -204.109
Base-Backbone interact. energy: -0.061
local terms energy: -224.826935
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -40.706
flat angles C4'-P-C4' energy: -44.990
flat angles P-C4'-P energy: -36.587
tors. eta vs tors. theta energy: -59.049
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: 259
Temperature: 0.950000
Total energy: -624.220345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.220345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.220345 (E_RNA)
where:
Base-Base interactions energy: -409.850
where: short stacking energy: -182.109
Base-Backbone interact. energy: -0.684
local terms energy: -213.687142
where:
bonds (distance) C4'-P energy: -37.778
bonds (distance) P-C4' energy: -37.798
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: -63.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -637.490088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.490088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.490088 (E_RNA)
where:
Base-Base interactions energy: -432.167
where: short stacking energy: -197.023
Base-Backbone interact. energy: -0.209
local terms energy: -205.113381
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -63.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -584.517213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.517213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.517213 (E_RNA)
where:
Base-Base interactions energy: -376.098
where: short stacking energy: -164.503
Base-Backbone interact. energy: -0.258
local terms energy: -208.161364
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -51.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -568.824930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.824930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.824930 (E_RNA)
where:
Base-Base interactions energy: -388.370
where: short stacking energy: -176.649
Base-Backbone interact. energy: 0.147
local terms energy: -180.601766
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -53.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -536.720299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.720299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.720299 (E_RNA)
where:
Base-Base interactions energy: -349.027
where: short stacking energy: -159.957
Base-Backbone interact. energy: -0.334
local terms energy: -187.359167
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -42.572
flat angles P-C4'-P energy: -29.361
tors. eta vs tors. theta energy: -49.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -422.785052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.785052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.785052 (E_RNA)
where:
Base-Base interactions energy: -263.501
where: short stacking energy: -108.252
Base-Backbone interact. energy: -1.894
local terms energy: -157.389709
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -30.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -294.960674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.960674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.960674 (E_RNA)
where:
Base-Base interactions energy: -143.318
where: short stacking energy: -85.157
Base-Backbone interact. energy: 0.046
local terms energy: -151.688315
where:
bonds (distance) C4'-P energy: -37.557
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -193.828299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.828299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.828299 (E_RNA)
where:
Base-Base interactions energy: -80.394
where: short stacking energy: -54.672
Base-Backbone interact. energy: -0.909
local terms energy: -112.525645
where:
bonds (distance) C4'-P energy: -36.006
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: 11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -164.348564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.348564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.348564 (E_RNA)
where:
Base-Base interactions energy: -45.510
where: short stacking energy: -17.648
Base-Backbone interact. energy: -1.091
local terms energy: -117.746758
where:
bonds (distance) C4'-P energy: -34.361
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: 11.289
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: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -661.109183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.109183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.109183 (E_RNA)
where:
Base-Base interactions energy: -438.270
where: short stacking energy: -209.419
Base-Backbone interact. energy: -0.326
local terms energy: -222.513084
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -34.404
flat angles C4'-P-C4' energy: -44.661
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -62.567
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: 260
Temperature: 0.950000
Total energy: -634.543297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.543297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.543297 (E_RNA)
where:
Base-Base interactions energy: -419.728
where: short stacking energy: -181.232
Base-Backbone interact. energy: -0.767
local terms energy: -214.048511
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -44.655
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -58.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -622.130311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.130311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.130311 (E_RNA)
where:
Base-Base interactions energy: -419.823
where: short stacking energy: -189.482
Base-Backbone interact. energy: -0.848
local terms energy: -201.458638
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -27.954
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -61.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -553.053678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.053678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.053678 (E_RNA)
where:
Base-Base interactions energy: -368.342
where: short stacking energy: -155.803
Base-Backbone interact. energy: 0.033
local terms energy: -184.744472
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -36.852
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -41.541
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: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -569.635284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.635284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.635284 (E_RNA)
where:
Base-Base interactions energy: -381.245
where: short stacking energy: -173.849
Base-Backbone interact. energy: 0.065
local terms energy: -188.455121
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -37.460
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -49.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -534.115113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.115113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.115113 (E_RNA)
where:
Base-Base interactions energy: -362.137
where: short stacking energy: -162.611
Base-Backbone interact. energy: -0.365
local terms energy: -171.613385
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -37.933
flat angles C4'-P-C4' energy: -41.047
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -46.270
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: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -409.574803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.574803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.574803 (E_RNA)
where:
Base-Base interactions energy: -243.217
where: short stacking energy: -121.165
Base-Backbone interact. energy: -0.281
local terms energy: -166.077247
where:
bonds (distance) C4'-P energy: -38.114
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -37.077
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -36.259
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -273.096727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.096727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.096727 (E_RNA)
where:
Base-Base interactions energy: -142.786
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.717
local terms energy: -129.593791
where:
bonds (distance) C4'-P energy: -36.340
bonds (distance) P-C4' energy: -35.698
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -191.448097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.448097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.448097 (E_RNA)
where:
Base-Base interactions energy: -60.904
where: short stacking energy: -47.178
Base-Backbone interact. energy: -0.005
local terms energy: -130.538946
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -166.529689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.529689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.529689 (E_RNA)
where:
Base-Base interactions energy: -59.354
where: short stacking energy: -55.964
Base-Backbone interact. energy: 0.323
local terms energy: -107.498810
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -663.177625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.177625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.177625 (E_RNA)
where:
Base-Base interactions energy: -440.769
where: short stacking energy: -195.980
Base-Backbone interact. energy: -0.476
local terms energy: -221.933412
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -60.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -621.606795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.606795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.606795 (E_RNA)
where:
Base-Base interactions energy: -412.238
where: short stacking energy: -178.479
Base-Backbone interact. energy: -1.241
local terms energy: -208.127814
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -33.964
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -55.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -642.440921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.440921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.440921 (E_RNA)
where:
Base-Base interactions energy: -441.033
where: short stacking energy: -193.600
Base-Backbone interact. energy: -0.426
local terms energy: -200.982381
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -32.289
flat angles C4'-P-C4' energy: -41.206
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: -60.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -578.666035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.666035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.666035 (E_RNA)
where:
Base-Base interactions energy: -380.463
where: short stacking energy: -160.676
Base-Backbone interact. energy: 0.064
local terms energy: -198.266434
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -43.801
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -44.844
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: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -552.903101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.903101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.903101 (E_RNA)
where:
Base-Base interactions energy: -362.434
where: short stacking energy: -150.929
Base-Backbone interact. energy: -1.010
local terms energy: -189.459566
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -37.211
flat angles C4'-P-C4' energy: -36.193
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -46.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -538.506787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.506787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.506787 (E_RNA)
where:
Base-Base interactions energy: -355.260
where: short stacking energy: -176.365
Base-Backbone interact. energy: -0.185
local terms energy: -183.062465
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -35.211
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -52.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -396.026335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.026335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.026335 (E_RNA)
where:
Base-Base interactions energy: -246.144
where: short stacking energy: -109.552
Base-Backbone interact. energy: 0.024
local terms energy: -149.906573
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -246.603118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.603118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.603118 (E_RNA)
where:
Base-Base interactions energy: -117.517
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.379
local terms energy: -128.706394
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -2.697
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -180.766891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766891 (E_RNA)
where:
Base-Base interactions energy: -55.158
where: short stacking energy: -53.114
Base-Backbone interact. energy: 0.909
local terms energy: -126.518179
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -35.978
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -184.497093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.497093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.497093 (E_RNA)
where:
Base-Base interactions energy: -64.923
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.253
local terms energy: -119.321012
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -649.901966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.901966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.901966 (E_RNA)
where:
Base-Base interactions energy: -432.172
where: short stacking energy: -197.181
Base-Backbone interact. energy: -0.490
local terms energy: -217.240116
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -39.151
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -58.935
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: 262
Temperature: 0.950000
Total energy: -632.431074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.431074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.431074 (E_RNA)
where:
Base-Base interactions energy: -420.044
where: short stacking energy: -186.939
Base-Backbone interact. energy: -0.189
local terms energy: -212.197584
where:
bonds (distance) C4'-P energy: -37.149
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -34.942
tors. eta vs tors. theta energy: -63.107
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: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -624.505977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.505977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.505977 (E_RNA)
where:
Base-Base interactions energy: -422.963
where: short stacking energy: -196.081
Base-Backbone interact. energy: -1.067
local terms energy: -200.475780
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -61.920
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: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -575.587556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.587556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.587556 (E_RNA)
where:
Base-Base interactions energy: -374.500
where: short stacking energy: -181.335
Base-Backbone interact. energy: -0.219
local terms energy: -200.868569
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -39.493
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -53.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -563.053520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.053520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.053520 (E_RNA)
where:
Base-Base interactions energy: -371.840
where: short stacking energy: -162.982
Base-Backbone interact. energy: 1.291
local terms energy: -192.504340
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -42.085
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -46.344
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -523.209642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.209642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.209642 (E_RNA)
where:
Base-Base interactions energy: -344.397
where: short stacking energy: -136.624
Base-Backbone interact. energy: -0.389
local terms energy: -178.424235
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -44.341
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: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -396.563911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.563911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.563911 (E_RNA)
where:
Base-Base interactions energy: -239.276
where: short stacking energy: -105.493
Base-Backbone interact. energy: -0.249
local terms energy: -157.039138
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -44.399
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -24.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -209.282299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.282299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.282299 (E_RNA)
where:
Base-Base interactions energy: -96.579
where: short stacking energy: -40.021
Base-Backbone interact. energy: 0.317
local terms energy: -113.020449
where:
bonds (distance) C4'-P energy: -32.438
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -24.137
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: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -183.326707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.326707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.326707 (E_RNA)
where:
Base-Base interactions energy: -63.624
where: short stacking energy: -50.241
Base-Backbone interact. energy: 2.825
local terms energy: -122.527343
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: 1.246
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: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -181.941728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.941728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.941728 (E_RNA)
where:
Base-Base interactions energy: -60.959
where: short stacking energy: -61.044
Base-Backbone interact. energy: -0.384
local terms energy: -120.598647
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -38.855
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -8.415
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -669.748264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.748264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.748264 (E_RNA)
where:
Base-Base interactions energy: -446.872
where: short stacking energy: -185.481
Base-Backbone interact. energy: -2.315
local terms energy: -220.560486
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -33.951
tors. eta vs tors. theta energy: -59.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -638.661382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.661382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.661382 (E_RNA)
where:
Base-Base interactions energy: -432.062
where: short stacking energy: -193.022
Base-Backbone interact. energy: -0.069
local terms energy: -206.530934
where:
bonds (distance) C4'-P energy: -42.059
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -28.253
tors. eta vs tors. theta energy: -60.271
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: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -629.278621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.278621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.278621 (E_RNA)
where:
Base-Base interactions energy: -424.618
where: short stacking energy: -181.921
Base-Backbone interact. energy: -0.537
local terms energy: -204.123718
where:
bonds (distance) C4'-P energy: -38.933
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -35.497
tors. eta vs tors. theta energy: -53.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -561.199565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.199565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.199565 (E_RNA)
where:
Base-Base interactions energy: -384.030
where: short stacking energy: -175.889
Base-Backbone interact. energy: -1.056
local terms energy: -176.113505
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -43.723
flat angles P-C4'-P energy: -29.141
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: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -557.300276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.300276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.300276 (E_RNA)
where:
Base-Base interactions energy: -362.553
where: short stacking energy: -168.189
Base-Backbone interact. energy: -0.841
local terms energy: -193.905837
where:
bonds (distance) C4'-P energy: -40.487
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -54.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -425.678429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.678429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.678429 (E_RNA)
where:
Base-Base interactions energy: -254.829
where: short stacking energy: -112.528
Base-Backbone interact. energy: -1.105
local terms energy: -169.744594
where:
bonds (distance) C4'-P energy: -39.607
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -22.963
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -484.094699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.094699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.094699 (E_RNA)
where:
Base-Base interactions energy: -316.712
where: short stacking energy: -134.236
Base-Backbone interact. energy: -0.510
local terms energy: -166.872841
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -189.317310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.317310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.317310 (E_RNA)
where:
Base-Base interactions energy: -76.233
where: short stacking energy: -53.945
Base-Backbone interact. energy: -1.159
local terms energy: -111.925079
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -22.541
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: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -177.188973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.188973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.188973 (E_RNA)
where:
Base-Base interactions energy: -61.841
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.145
local terms energy: -115.202964
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: 4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -167.547543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.547543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.547543 (E_RNA)
where:
Base-Base interactions energy: -61.963
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.942
local terms energy: -104.641786
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: 2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -670.316989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.316989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.316989 (E_RNA)
where:
Base-Base interactions energy: -461.423
where: short stacking energy: -192.838
Base-Backbone interact. energy: -0.635
local terms energy: -208.259053
where:
bonds (distance) C4'-P energy: -38.617
bonds (distance) P-C4' energy: -41.946
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -59.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -637.217581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.217581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.217581 (E_RNA)
where:
Base-Base interactions energy: -427.168
where: short stacking energy: -177.501
Base-Backbone interact. energy: -0.224
local terms energy: -209.825512
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -28.573
tors. eta vs tors. theta energy: -57.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -634.018831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.018831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.018831 (E_RNA)
where:
Base-Base interactions energy: -426.782
where: short stacking energy: -191.171
Base-Backbone interact. energy: -0.036
local terms energy: -207.200403
where:
bonds (distance) C4'-P energy: -39.096
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -39.347
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: -63.874
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -525.436871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.436871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.436871 (E_RNA)
where:
Base-Base interactions energy: -342.679
where: short stacking energy: -158.988
Base-Backbone interact. energy: -0.291
local terms energy: -182.466846
where:
bonds (distance) C4'-P energy: -34.078
bonds (distance) P-C4' energy: -38.033
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -39.715
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: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -538.558330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.558330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.558330 (E_RNA)
where:
Base-Base interactions energy: -338.696
where: short stacking energy: -148.249
Base-Backbone interact. energy: -0.760
local terms energy: -199.102172
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -34.139
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -52.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -407.625050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.625050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.625050 (E_RNA)
where:
Base-Base interactions energy: -240.091
where: short stacking energy: -117.389
Base-Backbone interact. energy: -0.570
local terms energy: -166.964195
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -44.044
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -29.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -449.120886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.120886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.120886 (E_RNA)
where:
Base-Base interactions energy: -284.892
where: short stacking energy: -113.235
Base-Backbone interact. energy: -0.075
local terms energy: -164.154005
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -38.884
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -198.841975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.841975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.841975 (E_RNA)
where:
Base-Base interactions energy: -60.320
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.132
local terms energy: -138.389404
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -39.250
flat angles C4'-P-C4' energy: -36.942
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -181.464578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.464578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.464578 (E_RNA)
where:
Base-Base interactions energy: -72.536
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.770
local terms energy: -108.158720
where:
bonds (distance) C4'-P energy: -33.659
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: 5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -161.615323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.615323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.615323 (E_RNA)
where:
Base-Base interactions energy: -59.021
where: short stacking energy: -51.168
Base-Backbone interact. energy: 0.351
local terms energy: -102.945252
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -27.520
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -671.273184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.273184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.273184 (E_RNA)
where:
Base-Base interactions energy: -460.260
where: short stacking energy: -195.834
Base-Backbone interact. energy: 2.342
local terms energy: -213.355044
where:
bonds (distance) C4'-P energy: -38.638
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -48.020
flat angles P-C4'-P energy: -29.482
tors. eta vs tors. theta energy: -58.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -656.598486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.598486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.598486 (E_RNA)
where:
Base-Base interactions energy: -433.241
where: short stacking energy: -200.971
Base-Backbone interact. energy: -0.085
local terms energy: -223.272428
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -40.057
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -65.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -611.598017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.598017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.598017 (E_RNA)
where:
Base-Base interactions energy: -399.898
where: short stacking energy: -184.903
Base-Backbone interact. energy: -0.298
local terms energy: -211.401948
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -46.793
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -58.105
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: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -533.382995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.382995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.382995 (E_RNA)
where:
Base-Base interactions energy: -343.507
where: short stacking energy: -165.735
Base-Backbone interact. energy: -1.245
local terms energy: -188.631248
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -46.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -560.704298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.704298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.704298 (E_RNA)
where:
Base-Base interactions energy: -359.678
where: short stacking energy: -166.614
Base-Backbone interact. energy: -1.433
local terms energy: -199.592843
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -58.580
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -474.610807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.610807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.610807 (E_RNA)
where:
Base-Base interactions energy: -306.517
where: short stacking energy: -132.106
Base-Backbone interact. energy: 2.225
local terms energy: -170.318152
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -38.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -404.199009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.199009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.199009 (E_RNA)
where:
Base-Base interactions energy: -257.580
where: short stacking energy: -111.374
Base-Backbone interact. energy: -1.136
local terms energy: -145.483329
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -39.476
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -24.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -207.153119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.153119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.153119 (E_RNA)
where:
Base-Base interactions energy: -87.492
where: short stacking energy: -53.299
Base-Backbone interact. energy: -1.468
local terms energy: -118.192364
where:
bonds (distance) C4'-P energy: -34.855
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: 0.817
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: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -191.009885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.009885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.009885 (E_RNA)
where:
Base-Base interactions energy: -75.328
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.889
local terms energy: -114.792676
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -167.084089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.084089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.084089 (E_RNA)
where:
Base-Base interactions energy: -65.313
where: short stacking energy: -54.592
Base-Backbone interact. energy: 0.410
local terms energy: -102.181278
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -31.619
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: 10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -685.927888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.927888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.927888 (E_RNA)
where:
Base-Base interactions energy: -465.278
where: short stacking energy: -197.873
Base-Backbone interact. energy: -0.544
local terms energy: -220.106025
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -47.321
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -61.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -644.850337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.850337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.850337 (E_RNA)
where:
Base-Base interactions energy: -431.953
where: short stacking energy: -192.360
Base-Backbone interact. energy: 0.228
local terms energy: -213.124919
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -43.820
flat angles C4'-P-C4' energy: -42.033
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -617.972447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.972447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.972447 (E_RNA)
where:
Base-Base interactions energy: -415.321
where: short stacking energy: -181.093
Base-Backbone interact. energy: -0.869
local terms energy: -201.782248
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -61.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -540.223443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.223443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.223443 (E_RNA)
where:
Base-Base interactions energy: -346.458
where: short stacking energy: -164.720
Base-Backbone interact. energy: -1.161
local terms energy: -192.603975
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -39.023
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -41.790
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: 266
Temperature: 1.100000
Total energy: -589.381653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.381653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.381653 (E_RNA)
where:
Base-Base interactions energy: -384.485
where: short stacking energy: -170.456
Base-Backbone interact. energy: -0.103
local terms energy: -204.793480
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -39.844
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -25.654
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: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -496.019930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.019930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.019930 (E_RNA)
where:
Base-Base interactions energy: -305.716
where: short stacking energy: -129.437
Base-Backbone interact. energy: -0.564
local terms energy: -189.740232
where:
bonds (distance) C4'-P energy: -35.013
bonds (distance) P-C4' energy: -39.534
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -39.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -424.272142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.272142 (E_RNA)
where:
Base-Base interactions energy: -255.180
where: short stacking energy: -121.567
Base-Backbone interact. energy: 4.377
local terms energy: -173.469637
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -43.966
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -27.571
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: 266
Temperature: 1.250000
Total energy: -190.575734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.575734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.575734 (E_RNA)
where:
Base-Base interactions energy: -66.577
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.147
local terms energy: -123.851699
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -33.698
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -3.058
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: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -181.425930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.425930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.425930 (E_RNA)
where:
Base-Base interactions energy: -62.623
where: short stacking energy: -53.020
Base-Backbone interact. energy: 1.432
local terms energy: -120.234571
where:
bonds (distance) C4'-P energy: -39.592
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -162.420136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.420136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.420136 (E_RNA)
where:
Base-Base interactions energy: -53.914
where: short stacking energy: -44.015
Base-Backbone interact. energy: -0.183
local terms energy: -108.322609
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: 6.052
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: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -674.868915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.868915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.868915 (E_RNA)
where:
Base-Base interactions energy: -455.318
where: short stacking energy: -191.826
Base-Backbone interact. energy: -4.046
local terms energy: -215.504543
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -36.923
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -65.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -652.056732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.056732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.056732 (E_RNA)
where:
Base-Base interactions energy: -429.220
where: short stacking energy: -202.533
Base-Backbone interact. energy: -0.454
local terms energy: -222.382719
where:
bonds (distance) C4'-P energy: -40.629
bonds (distance) P-C4' energy: -42.713
flat angles C4'-P-C4' energy: -41.968
flat angles P-C4'-P energy: -32.212
tors. eta vs tors. theta energy: -64.860
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: 267
Temperature: 1.000000
Total energy: -625.368203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.368203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.368203 (E_RNA)
where:
Base-Base interactions energy: -412.462
where: short stacking energy: -179.749
Base-Backbone interact. energy: -0.978
local terms energy: -211.928403
where:
bonds (distance) C4'-P energy: -41.103
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -56.205
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -579.034335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.034335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.034335 (E_RNA)
where:
Base-Base interactions energy: -370.244
where: short stacking energy: -168.381
Base-Backbone interact. energy: 0.303
local terms energy: -209.093338
where:
bonds (distance) C4'-P energy: -38.194
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -47.038
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: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -529.292410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.292410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.292410 (E_RNA)
where:
Base-Base interactions energy: -353.603
where: short stacking energy: -156.956
Base-Backbone interact. energy: -0.187
local terms energy: -175.502644
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -44.481
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -35.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -529.807703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.807703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.807703 (E_RNA)
where:
Base-Base interactions energy: -350.537
where: short stacking energy: -145.939
Base-Backbone interact. energy: -0.098
local terms energy: -179.173430
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -42.388
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -44.204
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -407.689136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.689136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.689136 (E_RNA)
where:
Base-Base interactions energy: -256.550
where: short stacking energy: -96.682
Base-Backbone interact. energy: -0.036
local terms energy: -151.103089
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -37.961
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -25.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -194.715559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.715559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.715559 (E_RNA)
where:
Base-Base interactions energy: -68.676
where: short stacking energy: -57.602
Base-Backbone interact. energy: 0.058
local terms energy: -126.097835
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -210.515537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.515537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.515537 (E_RNA)
where:
Base-Base interactions energy: -86.835
where: short stacking energy: -54.609
Base-Backbone interact. energy: 2.580
local terms energy: -126.260780
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -176.456006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.456006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.456006 (E_RNA)
where:
Base-Base interactions energy: -77.275
where: short stacking energy: -35.471
Base-Backbone interact. energy: -0.887
local terms energy: -98.293923
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -668.077894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.077894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.077894 (E_RNA)
where:
Base-Base interactions energy: -448.436
where: short stacking energy: -209.974
Base-Backbone interact. energy: -0.187
local terms energy: -219.455332
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -42.331
flat angles C4'-P-C4' energy: -48.385
flat angles P-C4'-P energy: -26.079
tors. eta vs tors. theta energy: -67.438
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: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -660.483921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.483921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.483921 (E_RNA)
where:
Base-Base interactions energy: -454.597
where: short stacking energy: -200.808
Base-Backbone interact. energy: -0.445
local terms energy: -205.442851
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -40.137
flat angles P-C4'-P energy: -33.311
tors. eta vs tors. theta energy: -59.962
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: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -616.926912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.926912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.926912 (E_RNA)
where:
Base-Base interactions energy: -402.298
where: short stacking energy: -184.425
Base-Backbone interact. energy: 1.327
local terms energy: -215.955110
where:
bonds (distance) C4'-P energy: -40.740
bonds (distance) P-C4' energy: -45.845
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -58.624
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: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -571.866028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.866028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.866028 (E_RNA)
where:
Base-Base interactions energy: -375.019
where: short stacking energy: -176.997
Base-Backbone interact. energy: 0.679
local terms energy: -197.525342
where:
bonds (distance) C4'-P energy: -36.501
bonds (distance) P-C4' energy: -42.309
flat angles C4'-P-C4' energy: -43.468
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -49.064
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -574.031256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.031256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.031256 (E_RNA)
where:
Base-Base interactions energy: -370.837
where: short stacking energy: -168.303
Base-Backbone interact. energy: -1.712
local terms energy: -201.481978
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -39.333
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -49.771
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: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -503.227487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.227487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.227487 (E_RNA)
where:
Base-Base interactions energy: -328.487
where: short stacking energy: -133.769
Base-Backbone interact. energy: 2.781
local terms energy: -177.521774
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -28.961
tors. eta vs tors. theta energy: -33.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -404.025790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.025790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.025790 (E_RNA)
where:
Base-Base interactions energy: -249.602
where: short stacking energy: -110.094
Base-Backbone interact. energy: -1.739
local terms energy: -152.685138
where:
bonds (distance) C4'-P energy: -34.000
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -33.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -204.329546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.329546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.329546 (E_RNA)
where:
Base-Base interactions energy: -66.685
where: short stacking energy: -51.481
Base-Backbone interact. energy: -0.281
local terms energy: -137.363467
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -35.542
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -215.798318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.798318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.798318 (E_RNA)
where:
Base-Base interactions energy: -87.105
where: short stacking energy: -54.919
Base-Backbone interact. energy: -0.880
local terms energy: -127.812690
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -16.059
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: 268
Temperature: 1.350000
Total energy: -200.576712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.576712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.576712 (E_RNA)
where:
Base-Base interactions energy: -76.702
where: short stacking energy: -65.269
Base-Backbone interact. energy: -1.088
local terms energy: -122.786300
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -675.835461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.835461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.835461 (E_RNA)
where:
Base-Base interactions energy: -441.193
where: short stacking energy: -203.892
Base-Backbone interact. energy: -0.014
local terms energy: -234.628138
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -38.811
tors. eta vs tors. theta energy: -65.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -657.733834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.733834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.733834 (E_RNA)
where:
Base-Base interactions energy: -443.416
where: short stacking energy: -195.060
Base-Backbone interact. energy: -0.573
local terms energy: -213.744696
where:
bonds (distance) C4'-P energy: -37.363
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -42.260
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -66.469
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: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -614.230701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.230701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.230701 (E_RNA)
where:
Base-Base interactions energy: -411.109
where: short stacking energy: -193.633
Base-Backbone interact. energy: -0.536
local terms energy: -202.584994
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -63.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -607.050098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.050098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.050098 (E_RNA)
where:
Base-Base interactions energy: -404.541
where: short stacking energy: -171.407
Base-Backbone interact. energy: -0.416
local terms energy: -202.092844
where:
bonds (distance) C4'-P energy: -41.847
bonds (distance) P-C4' energy: -34.544
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -52.821
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: 269
Temperature: 1.100000
Total energy: -567.072940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.072940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.072940 (E_RNA)
where:
Base-Base interactions energy: -376.507
where: short stacking energy: -160.312
Base-Backbone interact. energy: 0.016
local terms energy: -190.582273
where:
bonds (distance) C4'-P energy: -38.255
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -44.877
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -48.459
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: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -527.168194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.168194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.168194 (E_RNA)
where:
Base-Base interactions energy: -350.005
where: short stacking energy: -159.511
Base-Backbone interact. energy: -1.210
local terms energy: -175.953371
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -48.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -385.886256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.886256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.886256 (E_RNA)
where:
Base-Base interactions energy: -237.804
where: short stacking energy: -111.250
Base-Backbone interact. energy: -1.207
local terms energy: -146.874746
where:
bonds (distance) C4'-P energy: -36.242
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -24.603
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: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -192.353798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.353798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.353798 (E_RNA)
where:
Base-Base interactions energy: -66.513
where: short stacking energy: -51.782
Base-Backbone interact. energy: 0.547
local terms energy: -126.387161
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: 2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -186.131956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.131956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.131956 (E_RNA)
where:
Base-Base interactions energy: -66.244
where: short stacking energy: -63.144
Base-Backbone interact. energy: 2.215
local terms energy: -122.102713
where:
bonds (distance) C4'-P energy: -37.276
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: 1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -186.429553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.429553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.429553 (E_RNA)
where:
Base-Base interactions energy: -79.178
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.710
local terms energy: -106.540867
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -5.959
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: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -655.864021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.864021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.864021 (E_RNA)
where:
Base-Base interactions energy: -438.385
where: short stacking energy: -190.550
Base-Backbone interact. energy: -0.451
local terms energy: -217.028681
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -40.570
flat angles C4'-P-C4' energy: -44.737
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -59.252
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: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -662.273415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.273415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.273415 (E_RNA)
where:
Base-Base interactions energy: -447.145
where: short stacking energy: -205.475
Base-Backbone interact. energy: -1.338
local terms energy: -213.790101
where:
bonds (distance) C4'-P energy: -40.198
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -41.866
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -66.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -629.311830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.311830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.311830 (E_RNA)
where:
Base-Base interactions energy: -418.506
where: short stacking energy: -179.255
Base-Backbone interact. energy: -0.172
local terms energy: -210.633819
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -56.674
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: 270
Temperature: 1.050000
Total energy: -596.872283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.872283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.872283 (E_RNA)
where:
Base-Base interactions energy: -408.754
where: short stacking energy: -175.446
Base-Backbone interact. energy: 0.799
local terms energy: -188.918237
where:
bonds (distance) C4'-P energy: -33.775
bonds (distance) P-C4' energy: -34.881
flat angles C4'-P-C4' energy: -41.971
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -51.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -546.619656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.619656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.619656 (E_RNA)
where:
Base-Base interactions energy: -362.366
where: short stacking energy: -175.887
Base-Backbone interact. energy: -1.440
local terms energy: -182.813667
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -38.432
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -50.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -561.028031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.028031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.028031 (E_RNA)
where:
Base-Base interactions energy: -380.876
where: short stacking energy: -173.531
Base-Backbone interact. energy: -1.296
local terms energy: -178.856244
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -42.677
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -49.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -405.688904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.688904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.688904 (E_RNA)
where:
Base-Base interactions energy: -245.013
where: short stacking energy: -116.389
Base-Backbone interact. energy: -0.945
local terms energy: -159.731497
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -41.637
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -25.079
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -199.242206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.242206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.242206 (E_RNA)
where:
Base-Base interactions energy: -68.764
where: short stacking energy: -49.762
Base-Backbone interact. energy: -0.539
local terms energy: -129.938724
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: 13.015
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: 270
Temperature: 1.300000
Total energy: -192.795966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.795966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.795966 (E_RNA)
where:
Base-Base interactions energy: -62.213
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.542
local terms energy: -130.041058
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -159.306655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.306655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.306655 (E_RNA)
where:
Base-Base interactions energy: -40.611
where: short stacking energy: -35.518
Base-Backbone interact. energy: -0.448
local terms energy: -118.247790
where:
bonds (distance) C4'-P energy: -35.447
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -654.214869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.214869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.214869 (E_RNA)
where:
Base-Base interactions energy: -446.980
where: short stacking energy: -204.002
Base-Backbone interact. energy: -0.524
local terms energy: -206.710408
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -38.107
flat angles P-C4'-P energy: -30.779
tors. eta vs tors. theta energy: -66.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -660.318104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.318104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.318104 (E_RNA)
where:
Base-Base interactions energy: -446.029
where: short stacking energy: -207.061
Base-Backbone interact. energy: 0.707
local terms energy: -214.996266
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -32.975
flat angles C4'-P-C4' energy: -40.837
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -64.458
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -621.035060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.035060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.035060 (E_RNA)
where:
Base-Base interactions energy: -418.455
where: short stacking energy: -188.423
Base-Backbone interact. energy: 0.046
local terms energy: -202.625822
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -40.244
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -61.141
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: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -590.041124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.041124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.041124 (E_RNA)
where:
Base-Base interactions energy: -402.784
where: short stacking energy: -157.306
Base-Backbone interact. energy: -0.196
local terms energy: -187.060333
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -25.729
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: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -544.376625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.376625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.376625 (E_RNA)
where:
Base-Base interactions energy: -349.405
where: short stacking energy: -151.531
Base-Backbone interact. energy: -1.270
local terms energy: -193.701004
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -50.407
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: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -551.176095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.176095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.176095 (E_RNA)
where:
Base-Base interactions energy: -360.451
where: short stacking energy: -162.311
Base-Backbone interact. energy: 0.119
local terms energy: -190.843863
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -37.295
flat angles C4'-P-C4' energy: -40.478
flat angles P-C4'-P energy: -30.126
tors. eta vs tors. theta energy: -48.324
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -383.958790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.958790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.958790 (E_RNA)
where:
Base-Base interactions energy: -236.276
where: short stacking energy: -126.380
Base-Backbone interact. energy: -0.875
local terms energy: -146.808092
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -201.090265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.090265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.090265 (E_RNA)
where:
Base-Base interactions energy: -75.275
where: short stacking energy: -59.853
Base-Backbone interact. energy: -1.853
local terms energy: -123.962080
where:
bonds (distance) C4'-P energy: -41.814
bonds (distance) P-C4' energy: -39.217
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: 4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -241.051954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.051954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.051954 (E_RNA)
where:
Base-Base interactions energy: -97.565
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.454
local terms energy: -143.032829
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -44.055
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -174.370809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.370809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.370809 (E_RNA)
where:
Base-Base interactions energy: -61.305
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.776
local terms energy: -112.289200
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -33.941
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: 2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -679.975200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.975200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.975200 (E_RNA)
where:
Base-Base interactions energy: -453.248
where: short stacking energy: -213.541
Base-Backbone interact. energy: 0.143
local terms energy: -226.870278
where:
bonds (distance) C4'-P energy: -47.474
bonds (distance) P-C4' energy: -37.921
flat angles C4'-P-C4' energy: -48.096
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -64.698
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: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -639.025190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.025190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.025190 (E_RNA)
where:
Base-Base interactions energy: -427.654
where: short stacking energy: -188.950
Base-Backbone interact. energy: -0.113
local terms energy: -211.258666
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -43.668
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -64.100
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: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -625.641659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.641659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.641659 (E_RNA)
where:
Base-Base interactions energy: -428.897
where: short stacking energy: -199.166
Base-Backbone interact. energy: -0.036
local terms energy: -196.708937
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -58.737
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: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -607.293621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.293621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.293621 (E_RNA)
where:
Base-Base interactions energy: -405.568
where: short stacking energy: -180.652
Base-Backbone interact. energy: -0.697
local terms energy: -201.029049
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -43.377
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -62.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -574.922507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.922507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.922507 (E_RNA)
where:
Base-Base interactions energy: -370.020
where: short stacking energy: -163.824
Base-Backbone interact. energy: -0.514
local terms energy: -204.388035
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -43.206
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -56.006
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: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -508.498366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.498366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.498366 (E_RNA)
where:
Base-Base interactions energy: -332.407
where: short stacking energy: -143.957
Base-Backbone interact. energy: -0.729
local terms energy: -175.362644
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -43.485
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -47.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -400.967164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.967164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.967164 (E_RNA)
where:
Base-Base interactions energy: -247.458
where: short stacking energy: -113.145
Base-Backbone interact. energy: -0.975
local terms energy: -152.533944
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -198.038662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.038662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.038662 (E_RNA)
where:
Base-Base interactions energy: -69.419
where: short stacking energy: -58.995
Base-Backbone interact. energy: -1.059
local terms energy: -127.560240
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -212.280514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280514 (E_RNA)
where:
Base-Base interactions energy: -92.964
where: short stacking energy: -50.221
Base-Backbone interact. energy: -0.427
local terms energy: -118.889460
where:
bonds (distance) C4'-P energy: -36.038
bonds (distance) P-C4' energy: -39.220
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -181.907532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.907532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.907532 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -48.965
Base-Backbone interact. energy: -0.633
local terms energy: -119.377271
where:
bonds (distance) C4'-P energy: -35.608
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: 4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -680.823430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.823430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.823430 (E_RNA)
where:
Base-Base interactions energy: -463.756
where: short stacking energy: -214.356
Base-Backbone interact. energy: -0.162
local terms energy: -216.905463
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -66.500
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: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -640.153379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.153379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.153379 (E_RNA)
where:
Base-Base interactions energy: -431.751
where: short stacking energy: -186.821
Base-Backbone interact. energy: -0.049
local terms energy: -208.353919
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -40.356
flat angles C4'-P-C4' energy: -42.765
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -62.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -634.102504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.102504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.102504 (E_RNA)
where:
Base-Base interactions energy: -421.388
where: short stacking energy: -185.928
Base-Backbone interact. energy: -0.017
local terms energy: -212.697788
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -43.852
flat angles C4'-P-C4' energy: -41.014
flat angles P-C4'-P energy: -29.781
tors. eta vs tors. theta energy: -60.978
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: 273
Temperature: 1.050000
Total energy: -572.738273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.738273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.738273 (E_RNA)
where:
Base-Base interactions energy: -382.970
where: short stacking energy: -185.190
Base-Backbone interact. energy: -0.754
local terms energy: -189.014345
where:
bonds (distance) C4'-P energy: -35.505
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -578.447072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.447072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.447072 (E_RNA)
where:
Base-Base interactions energy: -384.452
where: short stacking energy: -155.577
Base-Backbone interact. energy: -0.154
local terms energy: -193.840732
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -29.808
tors. eta vs tors. theta energy: -51.975
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: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -506.419366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.419366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.419366 (E_RNA)
where:
Base-Base interactions energy: -322.814
where: short stacking energy: -138.105
Base-Backbone interact. energy: -0.619
local terms energy: -182.986663
where:
bonds (distance) C4'-P energy: -40.395
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -42.466
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: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -402.306410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.306410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.306410 (E_RNA)
where:
Base-Base interactions energy: -245.439
where: short stacking energy: -122.545
Base-Backbone interact. energy: -1.125
local terms energy: -155.742277
where:
bonds (distance) C4'-P energy: -43.552
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -207.827672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.827672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.827672 (E_RNA)
where:
Base-Base interactions energy: -80.068
where: short stacking energy: -66.232
Base-Backbone interact. energy: -1.345
local terms energy: -126.414499
where:
bonds (distance) C4'-P energy: -34.665
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -7.761
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: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -174.174584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.174584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.174584 (E_RNA)
where:
Base-Base interactions energy: -64.907
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.832
local terms energy: -108.435019
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -38.715
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: 8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -162.553992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.553992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.553992 (E_RNA)
where:
Base-Base interactions energy: -47.053
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.519
local terms energy: -114.982627
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -661.208479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.208479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.208479 (E_RNA)
where:
Base-Base interactions energy: -439.650
where: short stacking energy: -196.797
Base-Backbone interact. energy: -0.549
local terms energy: -221.009175
where:
bonds (distance) C4'-P energy: -44.520
bonds (distance) P-C4' energy: -39.372
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -63.235
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: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -672.105709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.105709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.105709 (E_RNA)
where:
Base-Base interactions energy: -458.752
where: short stacking energy: -209.439
Base-Backbone interact. energy: -1.637
local terms energy: -211.717224
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -38.121
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: -63.733
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: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -626.191436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.191436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.191436 (E_RNA)
where:
Base-Base interactions energy: -420.247
where: short stacking energy: -182.674
Base-Backbone interact. energy: -0.288
local terms energy: -205.656771
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -57.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -588.942156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.942156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.942156 (E_RNA)
where:
Base-Base interactions energy: -391.923
where: short stacking energy: -164.180
Base-Backbone interact. energy: -0.064
local terms energy: -196.955025
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -38.702
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: -52.585
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: 274
Temperature: 1.100000
Total energy: -593.174529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.174529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.174529 (E_RNA)
where:
Base-Base interactions energy: -389.438
where: short stacking energy: -171.376
Base-Backbone interact. energy: -0.146
local terms energy: -203.590034
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -60.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -525.953746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.953746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.953746 (E_RNA)
where:
Base-Base interactions energy: -345.328
where: short stacking energy: -152.755
Base-Backbone interact. energy: 0.623
local terms energy: -181.248451
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: -44.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -400.754025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.754025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.754025 (E_RNA)
where:
Base-Base interactions energy: -261.574
where: short stacking energy: -121.759
Base-Backbone interact. energy: -0.992
local terms energy: -138.188190
where:
bonds (distance) C4'-P energy: -39.004
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -180.737037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.737037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.737037 (E_RNA)
where:
Base-Base interactions energy: -54.767
where: short stacking energy: -50.098
Base-Backbone interact. energy: 0.056
local terms energy: -126.025561
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -179.059038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.059038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.059038 (E_RNA)
where:
Base-Base interactions energy: -65.070
where: short stacking energy: -60.052
Base-Backbone interact. energy: 1.081
local terms energy: -115.069707
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -3.785
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: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -158.616683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.616683 (E_RNA)
where:
Base-Base interactions energy: -57.135
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.638
local terms energy: -100.843720
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -659.509356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.509356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.509356 (E_RNA)
where:
Base-Base interactions energy: -439.247
where: short stacking energy: -187.832
Base-Backbone interact. energy: -0.260
local terms energy: -220.002891
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -43.690
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -57.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -678.850218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.850218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.850218 (E_RNA)
where:
Base-Base interactions energy: -450.743
where: short stacking energy: -206.831
Base-Backbone interact. energy: 0.280
local terms energy: -228.387067
where:
bonds (distance) C4'-P energy: -41.639
bonds (distance) P-C4' energy: -40.034
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -69.094
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: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -638.441686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.441686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.441686 (E_RNA)
where:
Base-Base interactions energy: -429.488
where: short stacking energy: -187.580
Base-Backbone interact. energy: -0.090
local terms energy: -208.864271
where:
bonds (distance) C4'-P energy: -34.225
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -65.534
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: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -589.380403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.380403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.380403 (E_RNA)
where:
Base-Base interactions energy: -387.305
where: short stacking energy: -179.792
Base-Backbone interact. energy: -1.009
local terms energy: -201.066303
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -40.190
flat angles C4'-P-C4' energy: -39.605
flat angles P-C4'-P energy: -34.077
tors. eta vs tors. theta energy: -52.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -549.558337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.558337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.558337 (E_RNA)
where:
Base-Base interactions energy: -376.757
where: short stacking energy: -169.601
Base-Backbone interact. energy: -0.075
local terms energy: -172.725420
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -36.372
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -46.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -550.864283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.864283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.864283 (E_RNA)
where:
Base-Base interactions energy: -364.121
where: short stacking energy: -169.962
Base-Backbone interact. energy: -0.136
local terms energy: -186.607615
where:
bonds (distance) C4'-P energy: -37.068
bonds (distance) P-C4' energy: -36.731
flat angles C4'-P-C4' energy: -37.933
flat angles P-C4'-P energy: -28.185
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -406.804346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.804346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.804346 (E_RNA)
where:
Base-Base interactions energy: -252.667
where: short stacking energy: -103.309
Base-Backbone interact. energy: -0.398
local terms energy: -153.739933
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -43.599
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -21.554
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: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -234.492393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.492393 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.497
local terms energy: -119.880978
where:
bonds (distance) C4'-P energy: -28.700
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -199.750342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.750342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.750342 (E_RNA)
where:
Base-Base interactions energy: -82.926
where: short stacking energy: -35.658
Base-Backbone interact. energy: -0.468
local terms energy: -116.356469
where:
bonds (distance) C4'-P energy: -32.887
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: 4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -178.096494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.096494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.096494 (E_RNA)
where:
Base-Base interactions energy: -59.812
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.774
local terms energy: -117.510246
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -41.279
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: 1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -668.547550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.547550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.547550 (E_RNA)
where:
Base-Base interactions energy: -438.564
where: short stacking energy: -198.468
Base-Backbone interact. energy: -0.038
local terms energy: -229.945025
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -40.756
flat angles C4'-P-C4' energy: -47.431
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -66.046
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -663.203710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.203710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.203710 (E_RNA)
where:
Base-Base interactions energy: -440.868
where: short stacking energy: -201.187
Base-Backbone interact. energy: -0.276
local terms energy: -222.059379
where:
bonds (distance) C4'-P energy: -42.676
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -32.803
tors. eta vs tors. theta energy: -64.374
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: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -626.554015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.554015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.554015 (E_RNA)
where:
Base-Base interactions energy: -424.078
where: short stacking energy: -189.340
Base-Backbone interact. energy: 0.023
local terms energy: -202.499273
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -37.442
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -61.381
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: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -563.856007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.856007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.856007 (E_RNA)
where:
Base-Base interactions energy: -369.946
where: short stacking energy: -173.292
Base-Backbone interact. energy: -0.171
local terms energy: -193.738397
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -47.131
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -56.032
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -558.412216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.412216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.412216 (E_RNA)
where:
Base-Base interactions energy: -376.505
where: short stacking energy: -168.231
Base-Backbone interact. energy: -0.303
local terms energy: -181.604470
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -48.359
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: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -529.733098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.733098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.733098 (E_RNA)
where:
Base-Base interactions energy: -356.042
where: short stacking energy: -151.238
Base-Backbone interact. energy: 0.080
local terms energy: -173.770815
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -43.556
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: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -408.044345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.044345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.044345 (E_RNA)
where:
Base-Base interactions energy: -258.765
where: short stacking energy: -112.944
Base-Backbone interact. energy: -2.316
local terms energy: -146.963421
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -31.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -192.799657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.799657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.799657 (E_RNA)
where:
Base-Base interactions energy: -68.840
where: short stacking energy: -67.098
Base-Backbone interact. energy: -0.310
local terms energy: -123.650101
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -44.295
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -2.756
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: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -178.737521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.737521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.737521 (E_RNA)
where:
Base-Base interactions energy: -69.316
where: short stacking energy: -56.262
Base-Backbone interact. energy: 0.915
local terms energy: -110.336101
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -208.951828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.951828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.951828 (E_RNA)
where:
Base-Base interactions energy: -105.495
where: short stacking energy: -59.124
Base-Backbone interact. energy: -1.349
local terms energy: -102.108512
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -5.557
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: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -649.552867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.552867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.552867 (E_RNA)
where:
Base-Base interactions energy: -430.545
where: short stacking energy: -189.883
Base-Backbone interact. energy: -0.793
local terms energy: -218.214311
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -64.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -668.857062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.857062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.857062 (E_RNA)
where:
Base-Base interactions energy: -442.430
where: short stacking energy: -202.852
Base-Backbone interact. energy: -0.835
local terms energy: -225.592307
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -48.434
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -65.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -626.829429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.829429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.829429 (E_RNA)
where:
Base-Base interactions energy: -405.050
where: short stacking energy: -195.342
Base-Backbone interact. energy: -0.035
local terms energy: -221.745108
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -42.079
flat angles C4'-P-C4' energy: -42.588
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: -66.935
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: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -559.929232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.929232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.929232 (E_RNA)
where:
Base-Base interactions energy: -366.394
where: short stacking energy: -143.378
Base-Backbone interact. energy: -1.146
local terms energy: -192.389270
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -39.748
flat angles C4'-P-C4' energy: -49.842
flat angles P-C4'-P energy: -33.841
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: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -548.096330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.096330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.096330 (E_RNA)
where:
Base-Base interactions energy: -375.912
where: short stacking energy: -164.880
Base-Backbone interact. energy: -1.428
local terms energy: -170.755632
where:
bonds (distance) C4'-P energy: -30.250
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -45.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -538.780100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.780100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.780100 (E_RNA)
where:
Base-Base interactions energy: -350.305
where: short stacking energy: -147.278
Base-Backbone interact. energy: -1.512
local terms energy: -186.963216
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -43.120
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -44.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -421.065908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.065908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.065908 (E_RNA)
where:
Base-Base interactions energy: -265.446
where: short stacking energy: -103.929
Base-Backbone interact. energy: -1.500
local terms energy: -154.119166
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -44.964
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -214.785954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.785954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.785954 (E_RNA)
where:
Base-Base interactions energy: -81.488
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.304
local terms energy: -132.994482
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -36.592
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -170.827472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.827472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.827472 (E_RNA)
where:
Base-Base interactions energy: -49.129
where: short stacking energy: -37.814
Base-Backbone interact. energy: -0.842
local terms energy: -120.855583
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -40.876
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -25.391
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -178.407435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.407435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.407435 (E_RNA)
where:
Base-Base interactions energy: -66.758
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.627
local terms energy: -111.022182
where:
bonds (distance) C4'-P energy: -33.990
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -683.925269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.925269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.925269 (E_RNA)
where:
Base-Base interactions energy: -457.916
where: short stacking energy: -212.025
Base-Backbone interact. energy: -0.527
local terms energy: -225.481818
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -44.887
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -64.833
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -641.342867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.342867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.342867 (E_RNA)
where:
Base-Base interactions energy: -423.898
where: short stacking energy: -193.300
Base-Backbone interact. energy: -0.607
local terms energy: -216.837968
where:
bonds (distance) C4'-P energy: -40.981
bonds (distance) P-C4' energy: -42.650
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -28.250
tors. eta vs tors. theta energy: -61.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -635.004319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.004319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.004319 (E_RNA)
where:
Base-Base interactions energy: -415.997
where: short stacking energy: -190.427
Base-Backbone interact. energy: -0.020
local terms energy: -218.987414
where:
bonds (distance) C4'-P energy: -45.486
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -43.307
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -58.949
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: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -571.850835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.850835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.850835 (E_RNA)
where:
Base-Base interactions energy: -369.474
where: short stacking energy: -170.555
Base-Backbone interact. energy: 0.999
local terms energy: -203.375747
where:
bonds (distance) C4'-P energy: -41.147
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -51.910
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: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -544.743666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.743666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.743666 (E_RNA)
where:
Base-Base interactions energy: -361.665
where: short stacking energy: -157.663
Base-Backbone interact. energy: -0.974
local terms energy: -182.104329
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -39.208
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -51.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -539.454022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.454022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.454022 (E_RNA)
where:
Base-Base interactions energy: -371.211
where: short stacking energy: -174.392
Base-Backbone interact. energy: -0.306
local terms energy: -167.936654
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -50.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -481.389497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.389497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.389497 (E_RNA)
where:
Base-Base interactions energy: -312.128
where: short stacking energy: -139.292
Base-Backbone interact. energy: 1.604
local terms energy: -170.865418
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -35.443
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: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -190.240065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.240065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.240065 (E_RNA)
where:
Base-Base interactions energy: -60.860
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.879
local terms energy: -128.500722
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -40.743
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: 1.881
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: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -178.263244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.263244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.263244 (E_RNA)
where:
Base-Base interactions energy: -71.882
where: short stacking energy: -53.123
Base-Backbone interact. energy: 0.652
local terms energy: -107.033630
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -34.995
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -168.227067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.227067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.227067 (E_RNA)
where:
Base-Base interactions energy: -66.017
where: short stacking energy: -57.282
Base-Backbone interact. energy: 5.740
local terms energy: -107.950236
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -674.678310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.678310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.678310 (E_RNA)
where:
Base-Base interactions energy: -455.926
where: short stacking energy: -212.064
Base-Backbone interact. energy: -1.281
local terms energy: -217.470987
where:
bonds (distance) C4'-P energy: -42.727
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -46.509
flat angles P-C4'-P energy: -25.913
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -639.326868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.326868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.326868 (E_RNA)
where:
Base-Base interactions energy: -425.748
where: short stacking energy: -206.380
Base-Backbone interact. energy: -0.010
local terms energy: -213.568910
where:
bonds (distance) C4'-P energy: -34.517
bonds (distance) P-C4' energy: -38.006
flat angles C4'-P-C4' energy: -45.505
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -62.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -621.097334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.097334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.097334 (E_RNA)
where:
Base-Base interactions energy: -407.069
where: short stacking energy: -171.085
Base-Backbone interact. energy: -0.694
local terms energy: -213.335110
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -45.607
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -63.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -551.884219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.884219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.884219 (E_RNA)
where:
Base-Base interactions energy: -366.408
where: short stacking energy: -166.713
Base-Backbone interact. energy: 1.076
local terms energy: -186.552530
where:
bonds (distance) C4'-P energy: -33.363
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -44.904
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -51.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -541.357071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.357071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.357071 (E_RNA)
where:
Base-Base interactions energy: -351.968
where: short stacking energy: -150.467
Base-Backbone interact. energy: -1.093
local terms energy: -188.296384
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -47.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -545.269258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.269258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.269258 (E_RNA)
where:
Base-Base interactions energy: -366.206
where: short stacking energy: -157.577
Base-Backbone interact. energy: -0.697
local terms energy: -178.365903
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -23.981
tors. eta vs tors. theta energy: -47.316
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -461.892669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.892669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.892669 (E_RNA)
where:
Base-Base interactions energy: -296.968
where: short stacking energy: -119.861
Base-Backbone interact. energy: 0.784
local terms energy: -165.708943
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -37.202
flat angles C4'-P-C4' energy: -42.097
flat angles P-C4'-P energy: -28.476
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -192.972888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.972888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.972888 (E_RNA)
where:
Base-Base interactions energy: -73.771
where: short stacking energy: -56.241
Base-Backbone interact. energy: -0.515
local terms energy: -118.687265
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -41.098
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: 2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -205.286027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.286027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.286027 (E_RNA)
where:
Base-Base interactions energy: -77.013
where: short stacking energy: -50.004
Base-Backbone interact. energy: -1.376
local terms energy: -126.897373
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -4.844
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -174.599599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.599599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.599599 (E_RNA)
where:
Base-Base interactions energy: -70.131
where: short stacking energy: -62.710
Base-Backbone interact. energy: -1.711
local terms energy: -102.756732
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -34.727
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: 4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -667.462285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.462285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.462285 (E_RNA)
where:
Base-Base interactions energy: -442.710
where: short stacking energy: -207.860
Base-Backbone interact. energy: -0.631
local terms energy: -224.121541
where:
bonds (distance) C4'-P energy: -42.493
bonds (distance) P-C4' energy: -40.817
flat angles C4'-P-C4' energy: -42.986
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -63.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -644.983738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.983738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.983738 (E_RNA)
where:
Base-Base interactions energy: -428.245
where: short stacking energy: -196.532
Base-Backbone interact. energy: -0.574
local terms energy: -216.163979
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -45.632
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -65.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -633.062511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.062511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.062511 (E_RNA)
where:
Base-Base interactions energy: -419.933
where: short stacking energy: -180.321
Base-Backbone interact. energy: -1.332
local terms energy: -211.797373
where:
bonds (distance) C4'-P energy: -37.477
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -46.118
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -559.759290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.759290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.759290 (E_RNA)
where:
Base-Base interactions energy: -378.532
where: short stacking energy: -163.124
Base-Backbone interact. energy: -0.490
local terms energy: -180.737526
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -46.151
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: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -566.091343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.091343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.091343 (E_RNA)
where:
Base-Base interactions energy: -370.360
where: short stacking energy: -170.682
Base-Backbone interact. energy: -0.679
local terms energy: -195.052453
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -42.146
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -44.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -537.745299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.745299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.745299 (E_RNA)
where:
Base-Base interactions energy: -351.702
where: short stacking energy: -143.187
Base-Backbone interact. energy: -0.283
local terms energy: -185.760014
where:
bonds (distance) C4'-P energy: -37.433
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -31.596
tors. eta vs tors. theta energy: -49.359
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: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -445.457531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.457531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.457531 (E_RNA)
where:
Base-Base interactions energy: -286.367
where: short stacking energy: -128.580
Base-Backbone interact. energy: -1.750
local terms energy: -157.339985
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -30.068
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: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -206.008438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.008438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.008438 (E_RNA)
where:
Base-Base interactions energy: -83.768
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.296
local terms energy: -121.944998
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -38.996
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: 5.670
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: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -180.962446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.962446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.962446 (E_RNA)
where:
Base-Base interactions energy: -61.297
where: short stacking energy: -44.304
Base-Backbone interact. energy: -1.215
local terms energy: -118.450507
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -164.892804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.892804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.892804 (E_RNA)
where:
Base-Base interactions energy: -53.597
where: short stacking energy: -33.504
Base-Backbone interact. energy: 2.791
local terms energy: -114.086650
where:
bonds (distance) C4'-P energy: -40.809
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: 16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -662.472467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.472467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.472467 (E_RNA)
where:
Base-Base interactions energy: -434.133
where: short stacking energy: -194.091
Base-Backbone interact. energy: -0.103
local terms energy: -228.236229
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -49.889
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -67.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -672.356553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.356553 (E_RNA)
where:
Base-Base interactions energy: -440.627
where: short stacking energy: -205.426
Base-Backbone interact. energy: 1.931
local terms energy: -233.660266
where:
bonds (distance) C4'-P energy: -43.527
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -47.501
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -67.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -625.202991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.202991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.202991 (E_RNA)
where:
Base-Base interactions energy: -422.541
where: short stacking energy: -181.001
Base-Backbone interact. energy: -0.590
local terms energy: -202.071503
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -42.432
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -59.984
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -573.191311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.191311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.191311 (E_RNA)
where:
Base-Base interactions energy: -386.146
where: short stacking energy: -160.469
Base-Backbone interact. energy: -0.097
local terms energy: -186.948860
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -48.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -550.385260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.385260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.385260 (E_RNA)
where:
Base-Base interactions energy: -367.761
where: short stacking energy: -145.502
Base-Backbone interact. energy: -0.103
local terms energy: -182.520525
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -40.358
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: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -527.849246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.849246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.849246 (E_RNA)
where:
Base-Base interactions energy: -347.838
where: short stacking energy: -154.593
Base-Backbone interact. energy: -0.218
local terms energy: -179.793674
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -38.747
flat angles C4'-P-C4' energy: -36.686
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -49.265
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: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -431.779832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.779832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.779832 (E_RNA)
where:
Base-Base interactions energy: -285.173
where: short stacking energy: -112.926
Base-Backbone interact. energy: -1.484
local terms energy: -145.122526
where:
bonds (distance) C4'-P energy: -32.397
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -28.557
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -202.739447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.739447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.739447 (E_RNA)
where:
Base-Base interactions energy: -99.740
where: short stacking energy: -73.725
Base-Backbone interact. energy: -1.403
local terms energy: -101.597018
where:
bonds (distance) C4'-P energy: -32.291
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: 2.061
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -177.025154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.025154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.025154 (E_RNA)
where:
Base-Base interactions energy: -59.090
where: short stacking energy: -50.454
Base-Backbone interact. energy: 0.333
local terms energy: -118.268310
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: 8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -173.628286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.628286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.628286 (E_RNA)
where:
Base-Base interactions energy: -59.927
where: short stacking energy: -41.827
Base-Backbone interact. energy: 4.801
local terms energy: -118.502837
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -38.649
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -684.308195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.308195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.308195 (E_RNA)
where:
Base-Base interactions energy: -465.221
where: short stacking energy: -211.584
Base-Backbone interact. energy: 0.837
local terms energy: -219.924427
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -45.345
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -28.299
tors. eta vs tors. theta energy: -64.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -645.786157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.786157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.786157 (E_RNA)
where:
Base-Base interactions energy: -440.278
where: short stacking energy: -199.793
Base-Backbone interact. energy: -0.107
local terms energy: -205.400594
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -40.211
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -65.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -637.767993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.767993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.767993 (E_RNA)
where:
Base-Base interactions energy: -429.294
where: short stacking energy: -186.841
Base-Backbone interact. energy: 1.008
local terms energy: -209.481356
where:
bonds (distance) C4'-P energy: -41.913
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -586.453220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.453220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.453220 (E_RNA)
where:
Base-Base interactions energy: -395.232
where: short stacking energy: -172.705
Base-Backbone interact. energy: -0.817
local terms energy: -190.403859
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -38.302
flat angles C4'-P-C4' energy: -43.803
flat angles P-C4'-P energy: -29.244
tors. eta vs tors. theta energy: -50.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -565.844774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.844774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.844774 (E_RNA)
where:
Base-Base interactions energy: -371.348
where: short stacking energy: -173.713
Base-Backbone interact. energy: -0.762
local terms energy: -193.734770
where:
bonds (distance) C4'-P energy: -38.811
bonds (distance) P-C4' energy: -35.957
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: -52.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -526.871880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.871880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.871880 (E_RNA)
where:
Base-Base interactions energy: -345.900
where: short stacking energy: -138.210
Base-Backbone interact. energy: 0.474
local terms energy: -181.445913
where:
bonds (distance) C4'-P energy: -30.922
bonds (distance) P-C4' energy: -42.616
flat angles C4'-P-C4' energy: -38.232
flat angles P-C4'-P energy: -21.854
tors. eta vs tors. theta energy: -47.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -476.695274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.695274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.695274 (E_RNA)
where:
Base-Base interactions energy: -320.372
where: short stacking energy: -128.541
Base-Backbone interact. energy: -0.673
local terms energy: -155.650362
where:
bonds (distance) C4'-P energy: -37.326
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -31.678
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -195.548467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.548467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.548467 (E_RNA)
where:
Base-Base interactions energy: -57.576
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.790
local terms energy: -137.182328
where:
bonds (distance) C4'-P energy: -36.477
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: 1.256
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: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -193.000781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.000781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.000781 (E_RNA)
where:
Base-Base interactions energy: -76.694
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.616
local terms energy: -115.690147
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -177.635722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.635722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.635722 (E_RNA)
where:
Base-Base interactions energy: -73.315
where: short stacking energy: -56.059
Base-Backbone interact. energy: 1.200
local terms energy: -105.520729
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -685.064831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.064831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.064831 (E_RNA)
where:
Base-Base interactions energy: -459.696
where: short stacking energy: -208.638
Base-Backbone interact. energy: -0.146
local terms energy: -225.223268
where:
bonds (distance) C4'-P energy: -43.705
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -43.828
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -63.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -657.684428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.684428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.684428 (E_RNA)
where:
Base-Base interactions energy: -438.660
where: short stacking energy: -187.857
Base-Backbone interact. energy: -0.711
local terms energy: -218.313284
where:
bonds (distance) C4'-P energy: -36.413
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -44.749
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -64.260
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: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -623.887186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.887186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.887186 (E_RNA)
where:
Base-Base interactions energy: -411.665
where: short stacking energy: -194.084
Base-Backbone interact. energy: -1.085
local terms energy: -211.137244
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -44.810
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -64.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -582.726776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.726776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.726776 (E_RNA)
where:
Base-Base interactions energy: -387.424
where: short stacking energy: -181.238
Base-Backbone interact. energy: -0.453
local terms energy: -194.849851
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -41.595
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -49.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -556.882116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.882116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.882116 (E_RNA)
where:
Base-Base interactions energy: -364.718
where: short stacking energy: -162.933
Base-Backbone interact. energy: -0.330
local terms energy: -191.833931
where:
bonds (distance) C4'-P energy: -39.467
bonds (distance) P-C4' energy: -39.566
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: -40.905
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: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -520.922904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.922904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.922904 (E_RNA)
where:
Base-Base interactions energy: -341.811
where: short stacking energy: -160.723
Base-Backbone interact. energy: -0.091
local terms energy: -179.021158
where:
bonds (distance) C4'-P energy: -39.937
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -496.204464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.204464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.204464 (E_RNA)
where:
Base-Base interactions energy: -334.310
where: short stacking energy: -140.783
Base-Backbone interact. energy: 0.225
local terms energy: -162.118589
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -43.860
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -41.027
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -202.902637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902637 (E_RNA)
where:
Base-Base interactions energy: -88.241
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.427
local terms energy: -114.235081
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -7.725
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: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -186.540463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.540463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.540463 (E_RNA)
where:
Base-Base interactions energy: -62.066
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.584
local terms energy: -123.890698
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -161.406787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.406787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.406787 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -28.525
Base-Backbone interact. energy: 0.794
local terms energy: -112.072035
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: 7.386
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: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -674.965163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.965163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.965163 (E_RNA)
where:
Base-Base interactions energy: -456.023
where: short stacking energy: -199.887
Base-Backbone interact. energy: -0.349
local terms energy: -218.592893
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -43.199
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: -66.522
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: 284
Temperature: 0.950000
Total energy: -641.547866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.547866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.547866 (E_RNA)
where:
Base-Base interactions energy: -425.496
where: short stacking energy: -183.690
Base-Backbone interact. energy: -0.126
local terms energy: -215.926485
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -42.555
flat angles C4'-P-C4' energy: -45.512
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -62.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -625.661471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.661471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.661471 (E_RNA)
where:
Base-Base interactions energy: -408.438
where: short stacking energy: -184.579
Base-Backbone interact. energy: -0.146
local terms energy: -217.078065
where:
bonds (distance) C4'-P energy: -39.310
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -44.087
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -63.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -575.689699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.689699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.689699 (E_RNA)
where:
Base-Base interactions energy: -371.248
where: short stacking energy: -174.286
Base-Backbone interact. energy: -0.298
local terms energy: -204.144172
where:
bonds (distance) C4'-P energy: -41.408
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -557.587533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.587533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.587533 (E_RNA)
where:
Base-Base interactions energy: -375.220
where: short stacking energy: -164.789
Base-Backbone interact. energy: -1.267
local terms energy: -181.100085
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -36.587
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -47.866
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: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -531.967359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.967359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.967359 (E_RNA)
where:
Base-Base interactions energy: -348.758
where: short stacking energy: -143.855
Base-Backbone interact. energy: 0.242
local terms energy: -183.451271
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -42.016
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -48.186
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -477.192940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.192940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.192940 (E_RNA)
where:
Base-Base interactions energy: -315.625
where: short stacking energy: -140.039
Base-Backbone interact. energy: -0.204
local terms energy: -161.364188
where:
bonds (distance) C4'-P energy: -35.926
bonds (distance) P-C4' energy: -29.631
flat angles C4'-P-C4' energy: -37.064
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -38.130
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: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -207.708493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.708493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.708493 (E_RNA)
where:
Base-Base interactions energy: -88.969
where: short stacking energy: -67.629
Base-Backbone interact. energy: 0.385
local terms energy: -119.124871
where:
bonds (distance) C4'-P energy: -38.959
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -18.623
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: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -183.761055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.761055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.761055 (E_RNA)
where:
Base-Base interactions energy: -70.950
where: short stacking energy: -59.298
Base-Backbone interact. energy: -1.987
local terms energy: -110.824512
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -34.795
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: 1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -177.271576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.271576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.271576 (E_RNA)
where:
Base-Base interactions energy: -70.230
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.148
local terms energy: -106.892888
where:
bonds (distance) C4'-P energy: -35.315
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -30.497
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -675.600726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.600726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.600726 (E_RNA)
where:
Base-Base interactions energy: -448.232
where: short stacking energy: -206.933
Base-Backbone interact. energy: -0.963
local terms energy: -226.405900
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -46.004
flat angles C4'-P-C4' energy: -48.907
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -64.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -637.844049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.844049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.844049 (E_RNA)
where:
Base-Base interactions energy: -423.353
where: short stacking energy: -192.413
Base-Backbone interact. energy: -0.039
local terms energy: -214.452376
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -61.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -622.326907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.326907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.326907 (E_RNA)
where:
Base-Base interactions energy: -422.487
where: short stacking energy: -180.063
Base-Backbone interact. energy: 0.711
local terms energy: -200.551113
where:
bonds (distance) C4'-P energy: -34.061
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -48.986
flat angles P-C4'-P energy: -33.057
tors. eta vs tors. theta energy: -57.009
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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -594.958245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.958245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.958245 (E_RNA)
where:
Base-Base interactions energy: -384.362
where: short stacking energy: -181.832
Base-Backbone interact. energy: -0.508
local terms energy: -210.087829
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: -54.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -549.959696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.959696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.959696 (E_RNA)
where:
Base-Base interactions energy: -375.534
where: short stacking energy: -155.720
Base-Backbone interact. energy: -0.565
local terms energy: -173.861180
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -485.970589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.970589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.970589 (E_RNA)
where:
Base-Base interactions energy: -316.099
where: short stacking energy: -143.216
Base-Backbone interact. energy: -0.521
local terms energy: -169.351132
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -46.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -508.829218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.829218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.829218 (E_RNA)
where:
Base-Base interactions energy: -319.463
where: short stacking energy: -141.991
Base-Backbone interact. energy: -1.016
local terms energy: -188.349968
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -42.244
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -38.737
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: 285
Temperature: 1.250000
Total energy: -189.295449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.295449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.295449 (E_RNA)
where:
Base-Base interactions energy: -91.983
where: short stacking energy: -43.209
Base-Backbone interact. energy: 1.149
local terms energy: -98.461558
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: 4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -186.945002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.945002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.945002 (E_RNA)
where:
Base-Base interactions energy: -67.634
where: short stacking energy: -47.406
Base-Backbone interact. energy: 1.922
local terms energy: -121.233695
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -35.095
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: 8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -158.504095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.504095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.504095 (E_RNA)
where:
Base-Base interactions energy: -47.578
where: short stacking energy: -39.004
Base-Backbone interact. energy: -2.026
local terms energy: -108.899570
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: 7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -672.653952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.653952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.653952 (E_RNA)
where:
Base-Base interactions energy: -453.803
where: short stacking energy: -203.541
Base-Backbone interact. energy: 0.253
local terms energy: -219.104778
where:
bonds (distance) C4'-P energy: -42.121
bonds (distance) P-C4' energy: -43.983
flat angles C4'-P-C4' energy: -47.307
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -62.285
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: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -647.301904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.301904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.301904 (E_RNA)
where:
Base-Base interactions energy: -426.259
where: short stacking energy: -197.715
Base-Backbone interact. energy: -0.962
local terms energy: -220.081014
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: -66.356
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: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -604.491677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.491677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.491677 (E_RNA)
where:
Base-Base interactions energy: -393.326
where: short stacking energy: -174.362
Base-Backbone interact. energy: 0.830
local terms energy: -211.995602
where:
bonds (distance) C4'-P energy: -37.445
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -63.307
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: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -581.823240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.823240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.823240 (E_RNA)
where:
Base-Base interactions energy: -387.242
where: short stacking energy: -177.981
Base-Backbone interact. energy: -0.443
local terms energy: -194.138277
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -43.571
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -52.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -494.615974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.615974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.615974 (E_RNA)
where:
Base-Base interactions energy: -334.912
where: short stacking energy: -146.201
Base-Backbone interact. energy: 0.511
local terms energy: -160.215007
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -41.174
flat angles P-C4'-P energy: -26.188
tors. eta vs tors. theta energy: -29.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -497.387571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.387571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.387571 (E_RNA)
where:
Base-Base interactions energy: -327.119
where: short stacking energy: -146.931
Base-Backbone interact. energy: -0.199
local terms energy: -170.068713
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -40.217
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: 286
Temperature: 1.200000
Total energy: -476.036204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.036204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.036204 (E_RNA)
where:
Base-Base interactions energy: -318.037
where: short stacking energy: -130.862
Base-Backbone interact. energy: -0.850
local terms energy: -157.149193
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -42.118
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -187.922263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.922263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.922263 (E_RNA)
where:
Base-Base interactions energy: -67.327
where: short stacking energy: -51.335
Base-Backbone interact. energy: -1.140
local terms energy: -119.455466
where:
bonds (distance) C4'-P energy: -36.674
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -34.828
flat angles P-C4'-P energy: -20.909
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: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -183.881923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.881923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.881923 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -43.757
Base-Backbone interact. energy: -0.524
local terms energy: -138.580041
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -2.075
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: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -176.098660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.098660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.098660 (E_RNA)
where:
Base-Base interactions energy: -60.558
where: short stacking energy: -59.302
Base-Backbone interact. energy: -1.515
local terms energy: -114.026100
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -29.343
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -671.952334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.952334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.952334 (E_RNA)
where:
Base-Base interactions energy: -460.929
where: short stacking energy: -198.965
Base-Backbone interact. energy: -0.775
local terms energy: -210.248945
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -65.408
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: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -654.714106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.714106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.714106 (E_RNA)
where:
Base-Base interactions energy: -452.491
where: short stacking energy: -200.386
Base-Backbone interact. energy: -0.835
local terms energy: -201.388348
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -61.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -630.661272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.661272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.661272 (E_RNA)
where:
Base-Base interactions energy: -417.695
where: short stacking energy: -187.846
Base-Backbone interact. energy: -0.682
local terms energy: -212.284562
where:
bonds (distance) C4'-P energy: -41.774
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -43.914
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -61.294
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: 287
Temperature: 1.050000
Total energy: -568.145194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.145194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.145194 (E_RNA)
where:
Base-Base interactions energy: -376.482
where: short stacking energy: -169.690
Base-Backbone interact. energy: -2.268
local terms energy: -189.394781
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -509.682641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.682641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.682641 (E_RNA)
where:
Base-Base interactions energy: -322.340
where: short stacking energy: -130.759
Base-Backbone interact. energy: -0.545
local terms energy: -186.797343
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -42.690
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -38.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -537.433688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.433688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.433688 (E_RNA)
where:
Base-Base interactions energy: -365.557
where: short stacking energy: -161.563
Base-Backbone interact. energy: 0.186
local terms energy: -172.062269
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -47.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -474.557992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.557992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.557992 (E_RNA)
where:
Base-Base interactions energy: -309.829
where: short stacking energy: -125.460
Base-Backbone interact. energy: -0.314
local terms energy: -164.415598
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -42.136
flat angles C4'-P-C4' energy: -39.412
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -36.557
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -193.151379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.151379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.151379 (E_RNA)
where:
Base-Base interactions energy: -66.803
where: short stacking energy: -54.661
Base-Backbone interact. energy: 9.882
local terms energy: -136.230197
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -41.333
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -183.140783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140783 (E_RNA)
where:
Base-Base interactions energy: -71.046
where: short stacking energy: -66.601
Base-Backbone interact. energy: 1.543
local terms energy: -113.637446
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -32.837
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -192.207756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.207756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.207756 (E_RNA)
where:
Base-Base interactions energy: -64.385
where: short stacking energy: -49.030
Base-Backbone interact. energy: -1.134
local terms energy: -126.688571
where:
bonds (distance) C4'-P energy: -37.896
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -669.930499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.930499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.930499 (E_RNA)
where:
Base-Base interactions energy: -440.179
where: short stacking energy: -204.199
Base-Backbone interact. energy: -0.361
local terms energy: -229.390378
where:
bonds (distance) C4'-P energy: -41.043
bonds (distance) P-C4' energy: -42.728
flat angles C4'-P-C4' energy: -44.556
flat angles P-C4'-P energy: -35.420
tors. eta vs tors. theta energy: -65.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -637.508049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.508049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.508049 (E_RNA)
where:
Base-Base interactions energy: -420.731
where: short stacking energy: -184.785
Base-Backbone interact. energy: -0.533
local terms energy: -216.244463
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -46.424
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -59.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -621.126296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.126296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.126296 (E_RNA)
where:
Base-Base interactions energy: -417.852
where: short stacking energy: -176.836
Base-Backbone interact. energy: -0.283
local terms energy: -202.991444
where:
bonds (distance) C4'-P energy: -34.238
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -62.499
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -576.887306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.887306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.887306 (E_RNA)
where:
Base-Base interactions energy: -374.490
where: short stacking energy: -156.399
Base-Backbone interact. energy: -0.409
local terms energy: -201.988856
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -44.451
flat angles P-C4'-P energy: -26.992
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: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -500.571113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.571113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.571113 (E_RNA)
where:
Base-Base interactions energy: -328.609
where: short stacking energy: -132.172
Base-Backbone interact. energy: -1.206
local terms energy: -170.755702
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -37.414
flat angles C4'-P-C4' energy: -36.043
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -33.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -537.475366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.475366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.475366 (E_RNA)
where:
Base-Base interactions energy: -353.487
where: short stacking energy: -151.200
Base-Backbone interact. energy: 2.405
local terms energy: -186.393330
where:
bonds (distance) C4'-P energy: -37.696
bonds (distance) P-C4' energy: -42.656
flat angles C4'-P-C4' energy: -37.621
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -47.343
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: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -505.176561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.176561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.176561 (E_RNA)
where:
Base-Base interactions energy: -347.552
where: short stacking energy: -153.769
Base-Backbone interact. energy: -0.591
local terms energy: -157.033345
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -38.958
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -45.579
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: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -202.609254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.609254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.609254 (E_RNA)
where:
Base-Base interactions energy: -88.352
where: short stacking energy: -60.397
Base-Backbone interact. energy: -1.512
local terms energy: -112.744722
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: 2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -176.002193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.002193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.002193 (E_RNA)
where:
Base-Base interactions energy: -52.193
where: short stacking energy: -43.414
Base-Backbone interact. energy: -0.550
local terms energy: -123.259232
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -38.986
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: 10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -184.902037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.902037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.902037 (E_RNA)
where:
Base-Base interactions energy: -61.158
where: short stacking energy: -49.268
Base-Backbone interact. energy: 0.540
local terms energy: -124.284267
where:
bonds (distance) C4'-P energy: -37.154
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: 0.730
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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -664.628952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.628952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.628952 (E_RNA)
where:
Base-Base interactions energy: -433.575
where: short stacking energy: -207.774
Base-Backbone interact. energy: -0.433
local terms energy: -230.621254
where:
bonds (distance) C4'-P energy: -43.840
bonds (distance) P-C4' energy: -41.586
flat angles C4'-P-C4' energy: -44.474
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -66.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -639.136109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.136109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.136109 (E_RNA)
where:
Base-Base interactions energy: -413.577
where: short stacking energy: -183.286
Base-Backbone interact. energy: -1.253
local terms energy: -224.306131
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -44.572
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -60.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -654.299069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.299069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.299069 (E_RNA)
where:
Base-Base interactions energy: -440.417
where: short stacking energy: -184.640
Base-Backbone interact. energy: 1.501
local terms energy: -215.382911
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -60.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -585.314336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.314336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.314336 (E_RNA)
where:
Base-Base interactions energy: -378.072
where: short stacking energy: -188.264
Base-Backbone interact. energy: -0.193
local terms energy: -207.049655
where:
bonds (distance) C4'-P energy: -40.853
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -40.858
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -60.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -513.408924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.408924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.408924 (E_RNA)
where:
Base-Base interactions energy: -336.045
where: short stacking energy: -151.745
Base-Backbone interact. energy: -1.775
local terms energy: -175.589373
where:
bonds (distance) C4'-P energy: -36.481
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -38.578
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: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -492.171213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.171213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.171213 (E_RNA)
where:
Base-Base interactions energy: -330.650
where: short stacking energy: -127.722
Base-Backbone interact. energy: -0.269
local terms energy: -161.252914
where:
bonds (distance) C4'-P energy: -40.187
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -22.235
tors. eta vs tors. theta energy: -33.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -525.130183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.130183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.130183 (E_RNA)
where:
Base-Base interactions energy: -327.915
where: short stacking energy: -153.402
Base-Backbone interact. energy: -0.840
local terms energy: -196.374735
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -38.880
flat angles C4'-P-C4' energy: -42.937
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -48.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -195.648199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.648199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.648199 (E_RNA)
where:
Base-Base interactions energy: -83.688
where: short stacking energy: -57.994
Base-Backbone interact. energy: 1.218
local terms energy: -113.178989
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -198.643732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.643732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.643732 (E_RNA)
where:
Base-Base interactions energy: -66.798
where: short stacking energy: -61.755
Base-Backbone interact. energy: 1.285
local terms energy: -133.130984
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -177.874972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.874972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.874972 (E_RNA)
where:
Base-Base interactions energy: -56.282
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.631
local terms energy: -120.961423
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: 1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -651.010483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.010483 (E_RNA)
where:
Base-Base interactions energy: -429.808
where: short stacking energy: -192.763
Base-Backbone interact. energy: -0.118
local terms energy: -221.084672
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -63.158
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: 290
Temperature: 0.950000
Total energy: -642.815554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.815554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.815554 (E_RNA)
where:
Base-Base interactions energy: -424.066
where: short stacking energy: -197.343
Base-Backbone interact. energy: -0.768
local terms energy: -217.981834
where:
bonds (distance) C4'-P energy: -37.084
bonds (distance) P-C4' energy: -36.714
flat angles C4'-P-C4' energy: -44.886
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -65.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -660.506729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.506729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.506729 (E_RNA)
where:
Base-Base interactions energy: -439.495
where: short stacking energy: -196.812
Base-Backbone interact. energy: -1.497
local terms energy: -219.514453
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -42.019
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -67.453
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: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -564.472884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.472884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.472884 (E_RNA)
where:
Base-Base interactions energy: -359.169
where: short stacking energy: -159.970
Base-Backbone interact. energy: -0.293
local terms energy: -205.010093
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -43.538
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -54.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -544.369565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.369565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.369565 (E_RNA)
where:
Base-Base interactions energy: -370.843
where: short stacking energy: -153.274
Base-Backbone interact. energy: 1.967
local terms energy: -175.493744
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -46.445
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -492.046937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.046937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.046937 (E_RNA)
where:
Base-Base interactions energy: -313.595
where: short stacking energy: -136.655
Base-Backbone interact. energy: -1.082
local terms energy: -177.369896
where:
bonds (distance) C4'-P energy: -34.657
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -38.645
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -38.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -508.820135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.820135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.820135 (E_RNA)
where:
Base-Base interactions energy: -327.395
where: short stacking energy: -152.987
Base-Backbone interact. energy: -0.419
local terms energy: -181.005484
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -33.725
flat angles C4'-P-C4' energy: -35.907
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -46.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -218.703572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.703572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.703572 (E_RNA)
where:
Base-Base interactions energy: -79.687
where: short stacking energy: -77.303
Base-Backbone interact. energy: -0.481
local terms energy: -138.534920
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -173.992124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.992124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.992124 (E_RNA)
where:
Base-Base interactions energy: -54.519
where: short stacking energy: -49.650
Base-Backbone interact. energy: -0.417
local terms energy: -119.056052
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -3.284
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: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -197.069198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069198 (E_RNA)
where:
Base-Base interactions energy: -73.015
where: short stacking energy: -54.825
Base-Backbone interact. energy: -0.879
local terms energy: -123.175665
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -654.128000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.128000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.128000 (E_RNA)
where:
Base-Base interactions energy: -438.887
where: short stacking energy: -197.606
Base-Backbone interact. energy: -0.294
local terms energy: -214.947368
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -38.020
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -60.295
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: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -670.957463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.957463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.957463 (E_RNA)
where:
Base-Base interactions energy: -451.771
where: short stacking energy: -204.938
Base-Backbone interact. energy: -0.711
local terms energy: -218.475226
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -33.135
tors. eta vs tors. theta energy: -63.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -645.517968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.517968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.517968 (E_RNA)
where:
Base-Base interactions energy: -438.270
where: short stacking energy: -201.254
Base-Backbone interact. energy: -0.010
local terms energy: -207.238289
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -47.372
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -66.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -589.812437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.812437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.812437 (E_RNA)
where:
Base-Base interactions energy: -383.373
where: short stacking energy: -181.718
Base-Backbone interact. energy: -0.829
local terms energy: -205.609822
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -40.582
flat angles C4'-P-C4' energy: -36.295
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -58.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -537.053749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.053749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.053749 (E_RNA)
where:
Base-Base interactions energy: -351.840
where: short stacking energy: -159.525
Base-Backbone interact. energy: -0.382
local terms energy: -184.831613
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -29.904
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: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -556.554803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.554803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.554803 (E_RNA)
where:
Base-Base interactions energy: -384.995
where: short stacking energy: -164.975
Base-Backbone interact. energy: -0.350
local terms energy: -171.209435
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -46.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -488.845938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.845938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.845938 (E_RNA)
where:
Base-Base interactions energy: -336.846
where: short stacking energy: -144.046
Base-Backbone interact. energy: 1.886
local terms energy: -153.885259
where:
bonds (distance) C4'-P energy: -37.141
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -31.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -184.762323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.762323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.762323 (E_RNA)
where:
Base-Base interactions energy: -67.251
where: short stacking energy: -54.966
Base-Backbone interact. energy: -0.683
local terms energy: -116.828071
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: 4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -210.963610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.963610 (E_RNA)
where:
Base-Base interactions energy: -101.676
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.394
local terms energy: -108.894104
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: 2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -171.518317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.518317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.518317 (E_RNA)
where:
Base-Base interactions energy: -65.484
where: short stacking energy: -45.938
Base-Backbone interact. energy: 1.953
local terms energy: -107.986524
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -2.834
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: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -670.081724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.081724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.081724 (E_RNA)
where:
Base-Base interactions energy: -444.787
where: short stacking energy: -197.709
Base-Backbone interact. energy: -0.338
local terms energy: -224.956636
where:
bonds (distance) C4'-P energy: -44.711
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -62.110
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: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -640.718647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.718647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.718647 (E_RNA)
where:
Base-Base interactions energy: -426.462
where: short stacking energy: -185.501
Base-Backbone interact. energy: -0.773
local terms energy: -213.484026
where:
bonds (distance) C4'-P energy: -33.435
bonds (distance) P-C4' energy: -40.471
flat angles C4'-P-C4' energy: -47.895
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -62.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -648.093458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.093458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.093458 (E_RNA)
where:
Base-Base interactions energy: -440.096
where: short stacking energy: -198.706
Base-Backbone interact. energy: -0.045
local terms energy: -207.952324
where:
bonds (distance) C4'-P energy: -32.499
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -45.111
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -61.189
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: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -587.129418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.129418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.129418 (E_RNA)
where:
Base-Base interactions energy: -400.271
where: short stacking energy: -184.348
Base-Backbone interact. energy: 1.335
local terms energy: -188.193838
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -44.485
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -548.779435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.779435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.779435 (E_RNA)
where:
Base-Base interactions energy: -357.334
where: short stacking energy: -161.630
Base-Backbone interact. energy: -0.759
local terms energy: -190.686865
where:
bonds (distance) C4'-P energy: -39.799
bonds (distance) P-C4' energy: -39.720
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -27.864
tors. eta vs tors. theta energy: -44.213
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: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -542.563842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.563842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.563842 (E_RNA)
where:
Base-Base interactions energy: -350.940
where: short stacking energy: -155.652
Base-Backbone interact. energy: -0.553
local terms energy: -191.070612
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -51.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -489.083888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.083888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.083888 (E_RNA)
where:
Base-Base interactions energy: -310.820
where: short stacking energy: -146.861
Base-Backbone interact. energy: -0.074
local terms energy: -178.189695
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -39.450
flat angles C4'-P-C4' energy: -44.962
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -197.645451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.645451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.645451 (E_RNA)
where:
Base-Base interactions energy: -66.129
where: short stacking energy: -47.307
Base-Backbone interact. energy: -0.748
local terms energy: -130.768153
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -44.079
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: 8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -272.909155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.909155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.909155 (E_RNA)
where:
Base-Base interactions energy: -124.018
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.392
local terms energy: -148.498768
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -173.293568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.293568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.293568 (E_RNA)
where:
Base-Base interactions energy: -57.925
where: short stacking energy: -53.817
Base-Backbone interact. energy: -0.520
local terms energy: -114.848925
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -682.478688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.478688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.478688 (E_RNA)
where:
Base-Base interactions energy: -450.137
where: short stacking energy: -209.195
Base-Backbone interact. energy: -1.163
local terms energy: -231.178024
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -47.205
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -66.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -646.216959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.216959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.216959 (E_RNA)
where:
Base-Base interactions energy: -426.328
where: short stacking energy: -188.431
Base-Backbone interact. energy: -0.300
local terms energy: -219.588728
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -62.117
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -622.616222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.616222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.616222 (E_RNA)
where:
Base-Base interactions energy: -412.794
where: short stacking energy: -188.153
Base-Backbone interact. energy: -0.943
local terms energy: -208.878707
where:
bonds (distance) C4'-P energy: -36.654
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -46.550
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -64.359
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: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -560.668501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.668501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.668501 (E_RNA)
where:
Base-Base interactions energy: -369.352
where: short stacking energy: -166.890
Base-Backbone interact. energy: -1.221
local terms energy: -190.095626
where:
bonds (distance) C4'-P energy: -36.475
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -31.212
tors. eta vs tors. theta energy: -43.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -559.724582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.724582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.724582 (E_RNA)
where:
Base-Base interactions energy: -383.918
where: short stacking energy: -160.375
Base-Backbone interact. energy: -0.351
local terms energy: -175.455577
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -38.769
flat angles P-C4'-P energy: -30.187
tors. eta vs tors. theta energy: -37.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -532.265177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.265177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.265177 (E_RNA)
where:
Base-Base interactions energy: -355.340
where: short stacking energy: -150.813
Base-Backbone interact. energy: -0.156
local terms energy: -176.768317
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -45.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -488.909070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.909070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.909070 (E_RNA)
where:
Base-Base interactions energy: -322.708
where: short stacking energy: -140.069
Base-Backbone interact. energy: -1.003
local terms energy: -165.198139
where:
bonds (distance) C4'-P energy: -35.231
bonds (distance) P-C4' energy: -37.642
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -34.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -298.657822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.657822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.657822 (E_RNA)
where:
Base-Base interactions energy: -157.728
where: short stacking energy: -75.789
Base-Backbone interact. energy: -2.638
local terms energy: -138.292529
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -173.631304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.631304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.631304 (E_RNA)
where:
Base-Base interactions energy: -56.942
where: short stacking energy: -44.615
Base-Backbone interact. energy: 1.018
local terms energy: -117.707220
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -166.742952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.742952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.742952 (E_RNA)
where:
Base-Base interactions energy: -68.695
where: short stacking energy: -39.476
Base-Backbone interact. energy: 0.850
local terms energy: -98.897733
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: 7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -673.055740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.055740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.055740 (E_RNA)
where:
Base-Base interactions energy: -451.956
where: short stacking energy: -208.543
Base-Backbone interact. energy: -0.004
local terms energy: -221.096365
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -32.362
tors. eta vs tors. theta energy: -67.552
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: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -645.341865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.341865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.341865 (E_RNA)
where:
Base-Base interactions energy: -418.483
where: short stacking energy: -186.478
Base-Backbone interact. energy: -0.570
local terms energy: -226.288869
where:
bonds (distance) C4'-P energy: -38.668
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -44.420
flat angles P-C4'-P energy: -33.974
tors. eta vs tors. theta energy: -67.198
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: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -614.430846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.430846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.430846 (E_RNA)
where:
Base-Base interactions energy: -409.582
where: short stacking energy: -174.285
Base-Backbone interact. energy: -0.384
local terms energy: -204.464539
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -42.210
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -54.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -593.092791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.092791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.092791 (E_RNA)
where:
Base-Base interactions energy: -385.168
where: short stacking energy: -174.944
Base-Backbone interact. energy: -0.243
local terms energy: -207.681423
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -41.681
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -56.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -550.148251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.148251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.148251 (E_RNA)
where:
Base-Base interactions energy: -354.893
where: short stacking energy: -162.883
Base-Backbone interact. energy: -0.410
local terms energy: -194.844512
where:
bonds (distance) C4'-P energy: -40.936
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -42.097
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -494.358169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.358169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.358169 (E_RNA)
where:
Base-Base interactions energy: -315.445
where: short stacking energy: -129.362
Base-Backbone interact. energy: -0.463
local terms energy: -178.449210
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -39.993
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -35.915
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -480.361456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.361456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.361456 (E_RNA)
where:
Base-Base interactions energy: -321.456
where: short stacking energy: -130.049
Base-Backbone interact. energy: -0.823
local terms energy: -158.082051
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -42.538
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -31.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -297.256191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.256191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.256191 (E_RNA)
where:
Base-Base interactions energy: -156.126
where: short stacking energy: -81.653
Base-Backbone interact. energy: -1.226
local terms energy: -139.904643
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -174.528894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.528894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.528894 (E_RNA)
where:
Base-Base interactions energy: -52.315
where: short stacking energy: -33.873
Base-Backbone interact. energy: 0.149
local terms energy: -122.362784
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: 11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -174.445336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.445336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.445336 (E_RNA)
where:
Base-Base interactions energy: -61.197
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.257
local terms energy: -112.991002
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -39.565
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: 2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -686.439635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.439635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.439635 (E_RNA)
where:
Base-Base interactions energy: -457.273
where: short stacking energy: -197.127
Base-Backbone interact. energy: -0.365
local terms energy: -228.801897
where:
bonds (distance) C4'-P energy: -41.640
bonds (distance) P-C4' energy: -42.161
flat angles C4'-P-C4' energy: -49.689
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -62.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -643.809148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.809148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.809148 (E_RNA)
where:
Base-Base interactions energy: -430.615
where: short stacking energy: -195.328
Base-Backbone interact. energy: -0.028
local terms energy: -213.166425
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -39.277
flat angles C4'-P-C4' energy: -41.936
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: -63.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -613.730148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.730148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.730148 (E_RNA)
where:
Base-Base interactions energy: -405.359
where: short stacking energy: -171.205
Base-Backbone interact. energy: -0.099
local terms energy: -208.272149
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -50.126
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -56.844
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: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -600.975660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.975660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.975660 (E_RNA)
where:
Base-Base interactions energy: -411.023
where: short stacking energy: -176.268
Base-Backbone interact. energy: -0.476
local terms energy: -189.475855
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -49.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -542.118302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.118302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.118302 (E_RNA)
where:
Base-Base interactions energy: -357.114
where: short stacking energy: -162.817
Base-Backbone interact. energy: -0.137
local terms energy: -184.866898
where:
bonds (distance) C4'-P energy: -36.137
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -47.000
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: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -511.836411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.836411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.836411 (E_RNA)
where:
Base-Base interactions energy: -363.870
where: short stacking energy: -156.849
Base-Backbone interact. energy: -0.282
local terms energy: -147.684281
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -446.382255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.382255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.382255 (E_RNA)
where:
Base-Base interactions energy: -288.689
where: short stacking energy: -120.718
Base-Backbone interact. energy: -0.484
local terms energy: -157.208793
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -41.118
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -348.478805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.478805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.478805 (E_RNA)
where:
Base-Base interactions energy: -202.262
where: short stacking energy: -105.268
Base-Backbone interact. energy: -1.614
local terms energy: -144.603347
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -26.623
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -171.678352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.678352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.678352 (E_RNA)
where:
Base-Base interactions energy: -50.390
where: short stacking energy: -33.254
Base-Backbone interact. energy: 3.465
local terms energy: -124.753191
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -37.947
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -194.399179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.399179 (E_RNA)
where:
Base-Base interactions energy: -66.429
where: short stacking energy: -58.767
Base-Backbone interact. energy: 0.962
local terms energy: -128.932288
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -6.601
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: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -670.294703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.294703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.294703 (E_RNA)
where:
Base-Base interactions energy: -440.816
where: short stacking energy: -204.452
Base-Backbone interact. energy: 0.198
local terms energy: -229.676793
where:
bonds (distance) C4'-P energy: -34.897
bonds (distance) P-C4' energy: -45.162
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -66.246
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: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -654.097578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.097578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.097578 (E_RNA)
where:
Base-Base interactions energy: -435.267
where: short stacking energy: -198.221
Base-Backbone interact. energy: -0.533
local terms energy: -218.296733
where:
bonds (distance) C4'-P energy: -38.213
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -45.620
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -59.535
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: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -619.083868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.083868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.083868 (E_RNA)
where:
Base-Base interactions energy: -414.823
where: short stacking energy: -174.039
Base-Backbone interact. energy: 0.877
local terms energy: -205.137474
where:
bonds (distance) C4'-P energy: -43.216
bonds (distance) P-C4' energy: -41.264
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: -48.917
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: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -593.977778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.977778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.977778 (E_RNA)
where:
Base-Base interactions energy: -390.744
where: short stacking energy: -170.060
Base-Backbone interact. energy: 0.104
local terms energy: -203.338442
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -44.921
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -55.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -542.016739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.016739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.016739 (E_RNA)
where:
Base-Base interactions energy: -355.094
where: short stacking energy: -165.319
Base-Backbone interact. energy: -1.005
local terms energy: -185.918113
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -38.716
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -46.171
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: 296
Temperature: 1.150000
Total energy: -500.429688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.429688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.429688 (E_RNA)
where:
Base-Base interactions energy: -335.997
where: short stacking energy: -137.410
Base-Backbone interact. energy: -0.956
local terms energy: -163.477042
where:
bonds (distance) C4'-P energy: -32.384
bonds (distance) P-C4' energy: -39.257
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -34.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -464.452675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.452675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.452675 (E_RNA)
where:
Base-Base interactions energy: -294.994
where: short stacking energy: -122.926
Base-Backbone interact. energy: 0.712
local terms energy: -170.170578
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -40.612
flat angles C4'-P-C4' energy: -42.173
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -32.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -352.333783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.333783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.333783 (E_RNA)
where:
Base-Base interactions energy: -218.812
where: short stacking energy: -96.417
Base-Backbone interact. energy: -0.993
local terms energy: -132.528213
where:
bonds (distance) C4'-P energy: -36.978
bonds (distance) P-C4' energy: -39.894
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -202.517741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.517741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.517741 (E_RNA)
where:
Base-Base interactions energy: -88.382
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.944
local terms energy: -113.191635
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -178.567575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567575 (E_RNA)
where:
Base-Base interactions energy: -67.558
where: short stacking energy: -49.857
Base-Backbone interact. energy: -1.094
local terms energy: -109.915462
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: 0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -681.222826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.222826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.222826 (E_RNA)
where:
Base-Base interactions energy: -444.728
where: short stacking energy: -201.300
Base-Backbone interact. energy: -0.796
local terms energy: -235.698629
where:
bonds (distance) C4'-P energy: -48.321
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -46.128
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -68.789
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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -639.708292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.708292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.708292 (E_RNA)
where:
Base-Base interactions energy: -427.463
where: short stacking energy: -189.574
Base-Backbone interact. energy: -0.035
local terms energy: -212.210323
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -40.496
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -61.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -606.923892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.923892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.923892 (E_RNA)
where:
Base-Base interactions energy: -408.011
where: short stacking energy: -184.225
Base-Backbone interact. energy: -0.788
local terms energy: -198.125377
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -41.529
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -56.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -576.043029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.043029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.043029 (E_RNA)
where:
Base-Base interactions energy: -385.970
where: short stacking energy: -184.862
Base-Backbone interact. energy: 0.197
local terms energy: -190.269585
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -36.747
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -25.752
tors. eta vs tors. theta energy: -50.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -570.853617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.853617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.853617 (E_RNA)
where:
Base-Base interactions energy: -371.635
where: short stacking energy: -152.521
Base-Backbone interact. energy: -0.284
local terms energy: -198.934199
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -50.627
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -534.648759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.648759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.648759 (E_RNA)
where:
Base-Base interactions energy: -353.904
where: short stacking energy: -156.762
Base-Backbone interact. energy: 0.738
local terms energy: -181.482985
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -42.865
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -47.067
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: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -442.779081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.779081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.779081 (E_RNA)
where:
Base-Base interactions energy: -288.199
where: short stacking energy: -129.206
Base-Backbone interact. energy: -0.160
local terms energy: -154.420101
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -28.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -324.238305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.238305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.238305 (E_RNA)
where:
Base-Base interactions energy: -174.838
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.329
local terms energy: -149.071540
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -34.156
flat angles P-C4'-P energy: -29.638
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: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -182.232996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.232996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.232996 (E_RNA)
where:
Base-Base interactions energy: -61.781
where: short stacking energy: -45.163
Base-Backbone interact. energy: -0.536
local terms energy: -119.915798
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -37.436
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -163.377488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.377488 (E_RNA)
where:
Base-Base interactions energy: -58.748
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.337
local terms energy: -104.291793
where:
bonds (distance) C4'-P energy: -30.280
bonds (distance) P-C4' energy: -29.300
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: 9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -667.333536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.333536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.333536 (E_RNA)
where:
Base-Base interactions energy: -440.755
where: short stacking energy: -203.029
Base-Backbone interact. energy: 0.049
local terms energy: -226.628281
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -38.063
flat angles C4'-P-C4' energy: -43.238
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -68.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -634.578833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.578833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.578833 (E_RNA)
where:
Base-Base interactions energy: -428.325
where: short stacking energy: -198.102
Base-Backbone interact. energy: 1.312
local terms energy: -207.565766
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -58.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -597.372065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.372065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.372065 (E_RNA)
where:
Base-Base interactions energy: -398.093
where: short stacking energy: -171.277
Base-Backbone interact. energy: -0.515
local terms energy: -198.764277
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -55.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -568.911755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.911755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.911755 (E_RNA)
where:
Base-Base interactions energy: -374.018
where: short stacking energy: -169.794
Base-Backbone interact. energy: -0.296
local terms energy: -194.598179
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -39.858
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -51.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -577.940990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.940990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.940990 (E_RNA)
where:
Base-Base interactions energy: -388.027
where: short stacking energy: -168.397
Base-Backbone interact. energy: -0.248
local terms energy: -189.666593
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -42.604
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -52.963
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: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -516.271810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.271810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.271810 (E_RNA)
where:
Base-Base interactions energy: -352.337
where: short stacking energy: -132.742
Base-Backbone interact. energy: 0.088
local terms energy: -164.022649
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -35.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -485.336099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.336099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.336099 (E_RNA)
where:
Base-Base interactions energy: -325.541
where: short stacking energy: -151.965
Base-Backbone interact. energy: 3.802
local terms energy: -163.596339
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -42.064
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -45.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -341.449430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.449430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.449430 (E_RNA)
where:
Base-Base interactions energy: -189.808
where: short stacking energy: -106.403
Base-Backbone interact. energy: -0.380
local terms energy: -151.260732
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -39.972
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -28.637
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: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -182.149236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.149236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.149236 (E_RNA)
where:
Base-Base interactions energy: -49.231
where: short stacking energy: -42.654
Base-Backbone interact. energy: -1.149
local terms energy: -131.769921
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -38.219
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -167.596964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.596964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.596964 (E_RNA)
where:
Base-Base interactions energy: -60.706
where: short stacking energy: -48.396
Base-Backbone interact. energy: -0.969
local terms energy: -105.921889
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: 8.101
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: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -676.197000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.197000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.197000 (E_RNA)
where:
Base-Base interactions energy: -453.059
where: short stacking energy: -209.567
Base-Backbone interact. energy: -0.157
local terms energy: -222.980513
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -46.406
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -66.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -641.605767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.605767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.605767 (E_RNA)
where:
Base-Base interactions energy: -433.206
where: short stacking energy: -185.754
Base-Backbone interact. energy: -0.573
local terms energy: -207.826768
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -29.380
tors. eta vs tors. theta energy: -55.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -598.969062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.969062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.969062 (E_RNA)
where:
Base-Base interactions energy: -389.639
where: short stacking energy: -173.047
Base-Backbone interact. energy: -0.367
local terms energy: -208.963738
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -52.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -583.382301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.382301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.382301 (E_RNA)
where:
Base-Base interactions energy: -387.140
where: short stacking energy: -169.810
Base-Backbone interact. energy: -1.802
local terms energy: -194.440102
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -47.476
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -53.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -554.670495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.670495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.670495 (E_RNA)
where:
Base-Base interactions energy: -363.230
where: short stacking energy: -161.338
Base-Backbone interact. energy: -0.131
local terms energy: -191.309640
where:
bonds (distance) C4'-P energy: -33.143
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -42.537
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -53.940
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: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -496.896494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.896494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.896494 (E_RNA)
where:
Base-Base interactions energy: -324.110
where: short stacking energy: -153.668
Base-Backbone interact. energy: -0.166
local terms energy: -172.620465
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -37.835
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -39.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -535.897708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.897708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.897708 (E_RNA)
where:
Base-Base interactions energy: -372.907
where: short stacking energy: -145.980
Base-Backbone interact. energy: 1.187
local terms energy: -164.178225
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -40.999
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: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -312.135823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.135823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.135823 (E_RNA)
where:
Base-Base interactions energy: -167.189
where: short stacking energy: -80.354
Base-Backbone interact. energy: -0.419
local terms energy: -144.528094
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -24.618
tors. eta vs tors. theta energy: -13.271
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: 299
Temperature: 1.300000
Total energy: -187.464843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.464843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.464843 (E_RNA)
where:
Base-Base interactions energy: -61.422
where: short stacking energy: -59.062
Base-Backbone interact. energy: -0.475
local terms energy: -125.567610
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -4.424
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: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -179.119094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.119094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.119094 (E_RNA)
where:
Base-Base interactions energy: -61.220
where: short stacking energy: -47.306
Base-Backbone interact. energy: 0.357
local terms energy: -118.256062
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -673.715278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.715278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.715278 (E_RNA)
where:
Base-Base interactions energy: -446.254
where: short stacking energy: -212.780
Base-Backbone interact. energy: -0.253
local terms energy: -227.208452
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -34.134
tors. eta vs tors. theta energy: -70.972
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: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -638.586307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.586307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.586307 (E_RNA)
where:
Base-Base interactions energy: -431.239
where: short stacking energy: -178.576
Base-Backbone interact. energy: -0.421
local terms energy: -206.926398
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -47.687
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -57.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -610.806256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.806256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.806256 (E_RNA)
where:
Base-Base interactions energy: -414.372
where: short stacking energy: -177.438
Base-Backbone interact. energy: -0.670
local terms energy: -195.764200
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -26.164
tors. eta vs tors. theta energy: -55.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -571.255657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.255657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.255657 (E_RNA)
where:
Base-Base interactions energy: -360.064
where: short stacking energy: -156.183
Base-Backbone interact. energy: -0.652
local terms energy: -210.540006
where:
bonds (distance) C4'-P energy: -42.389
bonds (distance) P-C4' energy: -39.179
flat angles C4'-P-C4' energy: -47.096
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -54.774
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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -548.478047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.478047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.478047 (E_RNA)
where:
Base-Base interactions energy: -352.111
where: short stacking energy: -166.563
Base-Backbone interact. energy: -1.414
local terms energy: -194.953005
where:
bonds (distance) C4'-P energy: -39.723
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -37.797
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -45.663
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: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -528.366481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.366481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.366481 (E_RNA)
where:
Base-Base interactions energy: -352.761
where: short stacking energy: -155.067
Base-Backbone interact. energy: -0.199
local terms energy: -175.406207
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -44.158
flat angles P-C4'-P energy: -29.856
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: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -499.669628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.669628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.669628 (E_RNA)
where:
Base-Base interactions energy: -328.392
where: short stacking energy: -144.397
Base-Backbone interact. energy: -0.880
local terms energy: -170.397516
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -41.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -334.042704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.042704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.042704 (E_RNA)
where:
Base-Base interactions energy: -183.682
where: short stacking energy: -94.017
Base-Backbone interact. energy: -0.019
local terms energy: -150.341785
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -21.388
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: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -182.968031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.968031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.968031 (E_RNA)
where:
Base-Base interactions energy: -66.044
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.584
local terms energy: -116.339878
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: 0.347
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: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -172.932875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.932875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.932875 (E_RNA)
where:
Base-Base interactions energy: -64.341
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.295
local terms energy: -108.296504
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -38.890
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -673.160546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.160546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.160546 (E_RNA)
where:
Base-Base interactions energy: -454.619
where: short stacking energy: -203.756
Base-Backbone interact. energy: -0.291
local terms energy: -218.250277
where:
bonds (distance) C4'-P energy: -38.849
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -45.457
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -65.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -620.974214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.974214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.974214 (E_RNA)
where:
Base-Base interactions energy: -408.087
where: short stacking energy: -178.982
Base-Backbone interact. energy: -1.322
local terms energy: -211.564762
where:
bonds (distance) C4'-P energy: -35.391
bonds (distance) P-C4' energy: -43.451
flat angles C4'-P-C4' energy: -39.359
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -63.072
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: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -633.111931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.111931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.111931 (E_RNA)
where:
Base-Base interactions energy: -429.284
where: short stacking energy: -180.936
Base-Backbone interact. energy: -0.123
local terms energy: -203.704345
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -59.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -584.014987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.014987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.014987 (E_RNA)
where:
Base-Base interactions energy: -377.985
where: short stacking energy: -185.810
Base-Backbone interact. energy: -0.697
local terms energy: -205.333264
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -58.815
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: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -554.033969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.033969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.033969 (E_RNA)
where:
Base-Base interactions energy: -369.507
where: short stacking energy: -172.297
Base-Backbone interact. energy: -0.376
local terms energy: -184.151770
where:
bonds (distance) C4'-P energy: -33.521
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -36.600
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -49.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -528.184380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.184380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.184380 (E_RNA)
where:
Base-Base interactions energy: -346.282
where: short stacking energy: -144.887
Base-Backbone interact. energy: -1.233
local terms energy: -180.669203
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -38.225
flat angles P-C4'-P energy: -32.292
tors. eta vs tors. theta energy: -49.876
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: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -494.737991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.737991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.737991 (E_RNA)
where:
Base-Base interactions energy: -325.388
where: short stacking energy: -146.734
Base-Backbone interact. energy: -0.723
local terms energy: -168.626715
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -44.210
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -40.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -347.705561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.705561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.705561 (E_RNA)
where:
Base-Base interactions energy: -194.878
where: short stacking energy: -104.323
Base-Backbone interact. energy: -0.665
local terms energy: -152.162317
where:
bonds (distance) C4'-P energy: -39.083
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -206.495154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.495154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.495154 (E_RNA)
where:
Base-Base interactions energy: -71.378
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.364
local terms energy: -134.753699
where:
bonds (distance) C4'-P energy: -42.676
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -174.635165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.635165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.635165 (E_RNA)
where:
Base-Base interactions energy: -58.878
where: short stacking energy: -53.397
Base-Backbone interact. energy: 0.003
local terms energy: -115.760056
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -669.199944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.199944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.199944 (E_RNA)
where:
Base-Base interactions energy: -446.857
where: short stacking energy: -198.602
Base-Backbone interact. energy: -1.474
local terms energy: -220.869530
where:
bonds (distance) C4'-P energy: -38.070
bonds (distance) P-C4' energy: -38.004
flat angles C4'-P-C4' energy: -49.322
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -66.380
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -635.561367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.561367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.561367 (E_RNA)
where:
Base-Base interactions energy: -416.741
where: short stacking energy: -182.740
Base-Backbone interact. energy: -1.154
local terms energy: -217.666338
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -46.266
flat angles C4'-P-C4' energy: -44.293
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -54.846
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: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -607.808869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.808869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.808869 (E_RNA)
where:
Base-Base interactions energy: -403.877
where: short stacking energy: -170.322
Base-Backbone interact. energy: -0.882
local terms energy: -203.049504
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -43.127
flat angles P-C4'-P energy: -28.503
tors. eta vs tors. theta energy: -51.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -589.609412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.609412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.609412 (E_RNA)
where:
Base-Base interactions energy: -388.194
where: short stacking energy: -181.836
Base-Backbone interact. energy: -0.283
local terms energy: -201.132729
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -44.537
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -62.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -566.149688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.149688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.149688 (E_RNA)
where:
Base-Base interactions energy: -377.097
where: short stacking energy: -177.412
Base-Backbone interact. energy: -0.367
local terms energy: -188.685171
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -27.293
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -59.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -499.836500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.836500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.836500 (E_RNA)
where:
Base-Base interactions energy: -320.906
where: short stacking energy: -142.432
Base-Backbone interact. energy: -0.221
local terms energy: -178.709680
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -40.767
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -40.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -523.182248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.182248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.182248 (E_RNA)
where:
Base-Base interactions energy: -344.090
where: short stacking energy: -152.522
Base-Backbone interact. energy: -0.357
local terms energy: -178.735034
where:
bonds (distance) C4'-P energy: -28.248
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -37.659
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -44.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -299.075370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.075370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.075370 (E_RNA)
where:
Base-Base interactions energy: -165.153
where: short stacking energy: -89.883
Base-Backbone interact. energy: -1.647
local terms energy: -132.274907
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -184.960333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.960333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.960333 (E_RNA)
where:
Base-Base interactions energy: -67.881
where: short stacking energy: -40.225
Base-Backbone interact. energy: -0.599
local terms energy: -116.481057
where:
bonds (distance) C4'-P energy: -30.631
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -180.986165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.986165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.986165 (E_RNA)
where:
Base-Base interactions energy: -65.958
where: short stacking energy: -37.780
Base-Backbone interact. energy: -1.153
local terms energy: -113.874583
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -682.614301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.614301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.614301 (E_RNA)
where:
Base-Base interactions energy: -464.163
where: short stacking energy: -205.465
Base-Backbone interact. energy: -1.796
local terms energy: -216.655427
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -41.193
flat angles C4'-P-C4' energy: -44.682
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -66.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -648.063667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.063667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.063667 (E_RNA)
where:
Base-Base interactions energy: -449.774
where: short stacking energy: -188.822
Base-Backbone interact. energy: -0.418
local terms energy: -197.872017
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -37.738
flat angles C4'-P-C4' energy: -42.658
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -55.028
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: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -620.447011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.447011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.447011 (E_RNA)
where:
Base-Base interactions energy: -418.812
where: short stacking energy: -185.893
Base-Backbone interact. energy: -1.486
local terms energy: -200.148728
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -41.178
flat angles C4'-P-C4' energy: -45.515
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -56.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -591.973936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.973936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.973936 (E_RNA)
where:
Base-Base interactions energy: -396.757
where: short stacking energy: -184.520
Base-Backbone interact. energy: 0.075
local terms energy: -195.292010
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -25.617
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: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -576.163787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.163787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.163787 (E_RNA)
where:
Base-Base interactions energy: -383.706
where: short stacking energy: -164.344
Base-Backbone interact. energy: 0.463
local terms energy: -192.921483
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -27.332
tors. eta vs tors. theta energy: -47.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -506.700441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.700441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.700441 (E_RNA)
where:
Base-Base interactions energy: -322.989
where: short stacking energy: -143.574
Base-Backbone interact. energy: -0.283
local terms energy: -183.428578
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -33.392
flat angles P-C4'-P energy: -29.329
tors. eta vs tors. theta energy: -49.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -490.955835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.955835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.955835 (E_RNA)
where:
Base-Base interactions energy: -307.577
where: short stacking energy: -139.286
Base-Backbone interact. energy: -0.364
local terms energy: -183.014588
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -41.892
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -29.205
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -288.968835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.968835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.968835 (E_RNA)
where:
Base-Base interactions energy: -155.319
where: short stacking energy: -77.504
Base-Backbone interact. energy: 0.089
local terms energy: -133.739642
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -195.774412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.774412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.774412 (E_RNA)
where:
Base-Base interactions energy: -74.064
where: short stacking energy: -69.148
Base-Backbone interact. energy: -0.942
local terms energy: -120.769160
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -166.042314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.042314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.042314 (E_RNA)
where:
Base-Base interactions energy: -58.605
where: short stacking energy: -48.312
Base-Backbone interact. energy: -0.460
local terms energy: -106.977236
where:
bonds (distance) C4'-P energy: -32.923
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -0.775
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: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -673.503909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.503909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.503909 (E_RNA)
where:
Base-Base interactions energy: -450.681
where: short stacking energy: -214.042
Base-Backbone interact. energy: -0.764
local terms energy: -222.059498
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -39.769
flat angles C4'-P-C4' energy: -47.063
flat angles P-C4'-P energy: -31.133
tors. eta vs tors. theta energy: -64.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -633.161320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.161320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.161320 (E_RNA)
where:
Base-Base interactions energy: -427.499
where: short stacking energy: -188.513
Base-Backbone interact. energy: -0.587
local terms energy: -205.075371
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -59.489
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: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -613.008545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.008545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.008545 (E_RNA)
where:
Base-Base interactions energy: -411.948
where: short stacking energy: -174.276
Base-Backbone interact. energy: -1.153
local terms energy: -199.907622
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -41.406
flat angles C4'-P-C4' energy: -44.317
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -56.534
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: 304
Temperature: 1.050000
Total energy: -578.096838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.096838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.096838 (E_RNA)
where:
Base-Base interactions energy: -387.778
where: short stacking energy: -183.755
Base-Backbone interact. energy: -0.114
local terms energy: -190.204281
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -41.348
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -56.034
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: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -576.021108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.021108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.021108 (E_RNA)
where:
Base-Base interactions energy: -393.793
where: short stacking energy: -168.673
Base-Backbone interact. energy: -0.224
local terms energy: -182.004012
where:
bonds (distance) C4'-P energy: -28.704
bonds (distance) P-C4' energy: -36.893
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -28.866
tors. eta vs tors. theta energy: -52.312
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: 304
Temperature: 1.150000
Total energy: -482.387857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.387857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.387857 (E_RNA)
where:
Base-Base interactions energy: -312.683
where: short stacking energy: -130.943
Base-Backbone interact. energy: 3.005
local terms energy: -172.709920
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -34.558
flat angles C4'-P-C4' energy: -38.935
flat angles P-C4'-P energy: -31.142
tors. eta vs tors. theta energy: -34.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -504.371281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.371281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.371281 (E_RNA)
where:
Base-Base interactions energy: -313.101
where: short stacking energy: -133.374
Base-Backbone interact. energy: -0.450
local terms energy: -190.820648
where:
bonds (distance) C4'-P energy: -40.363
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -42.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -336.168313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.168313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.168313 (E_RNA)
where:
Base-Base interactions energy: -184.037
where: short stacking energy: -101.944
Base-Backbone interact. energy: 0.332
local terms energy: -152.463574
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -40.555
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -169.958142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.958142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.958142 (E_RNA)
where:
Base-Base interactions energy: -57.735
where: short stacking energy: -56.107
Base-Backbone interact. energy: -0.831
local terms energy: -111.392279
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: 6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -179.735256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.735256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.735256 (E_RNA)
where:
Base-Base interactions energy: -82.588
where: short stacking energy: -57.598
Base-Backbone interact. energy: 0.121
local terms energy: -97.268006
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: 2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -668.604273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.604273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.604273 (E_RNA)
where:
Base-Base interactions energy: -436.083
where: short stacking energy: -200.553
Base-Backbone interact. energy: -0.048
local terms energy: -232.473317
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -43.162
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -69.755
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: 305
Temperature: 0.950000
Total energy: -644.096720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.096720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.096720 (E_RNA)
where:
Base-Base interactions energy: -430.711
where: short stacking energy: -184.528
Base-Backbone interact. energy: -0.261
local terms energy: -213.124462
where:
bonds (distance) C4'-P energy: -39.734
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -59.047
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: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -620.576571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.576571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.576571 (E_RNA)
where:
Base-Base interactions energy: -420.301
where: short stacking energy: -187.152
Base-Backbone interact. energy: -2.181
local terms energy: -198.094790
where:
bonds (distance) C4'-P energy: -38.623
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -30.724
tors. eta vs tors. theta energy: -53.136
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: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -591.378012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.378012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.378012 (E_RNA)
where:
Base-Base interactions energy: -392.461
where: short stacking energy: -185.058
Base-Backbone interact. energy: -0.237
local terms energy: -198.680244
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -37.134
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -53.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -579.037401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.037401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.037401 (E_RNA)
where:
Base-Base interactions energy: -380.506
where: short stacking energy: -170.201
Base-Backbone interact. energy: -0.845
local terms energy: -197.686774
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -42.377
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -49.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -535.712589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.712589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.712589 (E_RNA)
where:
Base-Base interactions energy: -349.864
where: short stacking energy: -162.088
Base-Backbone interact. energy: -0.285
local terms energy: -185.563298
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -47.918
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: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -467.096471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.096471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.096471 (E_RNA)
where:
Base-Base interactions energy: -303.522
where: short stacking energy: -133.989
Base-Backbone interact. energy: -0.255
local terms energy: -163.319669
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -40.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -340.312768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.312768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.312768 (E_RNA)
where:
Base-Base interactions energy: -197.411
where: short stacking energy: -89.098
Base-Backbone interact. energy: -1.816
local terms energy: -141.086480
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -188.931585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.931585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.931585 (E_RNA)
where:
Base-Base interactions energy: -61.500
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.478
local terms energy: -126.953247
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -178.626134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.626134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.626134 (E_RNA)
where:
Base-Base interactions energy: -70.257
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.633
local terms energy: -107.736969
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -14.795
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: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -690.986571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.986571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.986571 (E_RNA)
where:
Base-Base interactions energy: -472.023
where: short stacking energy: -204.166
Base-Backbone interact. energy: -0.194
local terms energy: -218.769509
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -45.426
flat angles P-C4'-P energy: -28.658
tors. eta vs tors. theta energy: -64.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -636.774106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.774106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.774106 (E_RNA)
where:
Base-Base interactions energy: -432.212
where: short stacking energy: -180.811
Base-Backbone interact. energy: -0.474
local terms energy: -204.088006
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -58.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -623.119644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.119644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.119644 (E_RNA)
where:
Base-Base interactions energy: -408.412
where: short stacking energy: -194.135
Base-Backbone interact. energy: -0.791
local terms energy: -213.916320
where:
bonds (distance) C4'-P energy: -45.052
bonds (distance) P-C4' energy: -34.938
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -61.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -585.199310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.199310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.199310 (E_RNA)
where:
Base-Base interactions energy: -393.426
where: short stacking energy: -178.338
Base-Backbone interact. energy: -0.345
local terms energy: -191.428569
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -29.729
tors. eta vs tors. theta energy: -58.188
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -556.875877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.875877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.875877 (E_RNA)
where:
Base-Base interactions energy: -371.575
where: short stacking energy: -153.895
Base-Backbone interact. energy: -0.272
local terms energy: -185.029238
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -43.901
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: 306
Temperature: 1.150000
Total energy: -556.604333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.604333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.604333 (E_RNA)
where:
Base-Base interactions energy: -371.874
where: short stacking energy: -172.914
Base-Backbone interact. energy: -0.500
local terms energy: -184.229695
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -38.833
flat angles C4'-P-C4' energy: -44.009
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -51.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -490.904655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.904655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.904655 (E_RNA)
where:
Base-Base interactions energy: -332.199
where: short stacking energy: -142.524
Base-Backbone interact. energy: 1.750
local terms energy: -160.456029
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -26.865
flat angles P-C4'-P energy: -27.237
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -348.032968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.032968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.032968 (E_RNA)
where:
Base-Base interactions energy: -210.350
where: short stacking energy: -97.302
Base-Backbone interact. energy: -0.841
local terms energy: -136.842312
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -40.366
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -182.131109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.131109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.131109 (E_RNA)
where:
Base-Base interactions energy: -62.063
where: short stacking energy: -52.162
Base-Backbone interact. energy: -1.770
local terms energy: -118.298037
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: 1.511
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -163.452508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.452508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.452508 (E_RNA)
where:
Base-Base interactions energy: -56.804
where: short stacking energy: -45.116
Base-Backbone interact. energy: -1.083
local terms energy: -105.565880
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: 5.975
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: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -676.151536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.151536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.151536 (E_RNA)
where:
Base-Base interactions energy: -463.942
where: short stacking energy: -203.670
Base-Backbone interact. energy: -0.643
local terms energy: -211.566554
where:
bonds (distance) C4'-P energy: -38.235
bonds (distance) P-C4' energy: -32.499
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -64.802
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: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -643.981035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.981035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.981035 (E_RNA)
where:
Base-Base interactions energy: -428.769
where: short stacking energy: -177.379
Base-Backbone interact. energy: -0.807
local terms energy: -214.405362
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -42.132
flat angles C4'-P-C4' energy: -44.922
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -58.066
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: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -615.587200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.587200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.587200 (E_RNA)
where:
Base-Base interactions energy: -411.769
where: short stacking energy: -173.128
Base-Backbone interact. energy: -0.186
local terms energy: -203.632157
where:
bonds (distance) C4'-P energy: -35.966
bonds (distance) P-C4' energy: -34.759
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -27.590
tors. eta vs tors. theta energy: -60.183
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -579.819120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.819120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.819120 (E_RNA)
where:
Base-Base interactions energy: -381.056
where: short stacking energy: -166.657
Base-Backbone interact. energy: -0.291
local terms energy: -198.472801
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -39.984
flat angles C4'-P-C4' energy: -43.063
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -52.479
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: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -541.389725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.389725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.389725 (E_RNA)
where:
Base-Base interactions energy: -350.388
where: short stacking energy: -152.676
Base-Backbone interact. energy: -0.380
local terms energy: -190.622515
where:
bonds (distance) C4'-P energy: -28.177
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -38.976
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -534.285427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.285427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.285427 (E_RNA)
where:
Base-Base interactions energy: -359.741
where: short stacking energy: -159.979
Base-Backbone interact. energy: -0.658
local terms energy: -173.886531
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -21.597
tors. eta vs tors. theta energy: -49.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -539.041868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.041868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.041868 (E_RNA)
where:
Base-Base interactions energy: -367.254
where: short stacking energy: -156.716
Base-Backbone interact. energy: -0.467
local terms energy: -171.321193
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -49.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -326.796144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.796144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.796144 (E_RNA)
where:
Base-Base interactions energy: -186.884
where: short stacking energy: -92.139
Base-Backbone interact. energy: -0.364
local terms energy: -139.548735
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -25.166
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: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -188.722954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.722954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.722954 (E_RNA)
where:
Base-Base interactions energy: -69.422
where: short stacking energy: -60.469
Base-Backbone interact. energy: -1.358
local terms energy: -117.942423
where:
bonds (distance) C4'-P energy: -36.051
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -166.199768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.199768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.199768 (E_RNA)
where:
Base-Base interactions energy: -56.985
where: short stacking energy: -51.117
Base-Backbone interact. energy: -0.355
local terms energy: -108.859616
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -39.831
flat angles P-C4'-P energy: -10.609
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: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -680.077193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.077193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.077193 (E_RNA)
where:
Base-Base interactions energy: -454.241
where: short stacking energy: -215.378
Base-Backbone interact. energy: 0.897
local terms energy: -226.733083
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -40.494
flat angles C4'-P-C4' energy: -50.398
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -67.304
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: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -647.709340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.709340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.709340 (E_RNA)
where:
Base-Base interactions energy: -430.990
where: short stacking energy: -204.100
Base-Backbone interact. energy: -1.699
local terms energy: -215.021082
where:
bonds (distance) C4'-P energy: -40.347
bonds (distance) P-C4' energy: -43.571
flat angles C4'-P-C4' energy: -43.100
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -60.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -592.180179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.180179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.180179 (E_RNA)
where:
Base-Base interactions energy: -390.793
where: short stacking energy: -180.131
Base-Backbone interact. energy: -0.588
local terms energy: -200.799582
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -59.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -616.835835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.835835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.835835 (E_RNA)
where:
Base-Base interactions energy: -423.673
where: short stacking energy: -184.530
Base-Backbone interact. energy: -1.048
local terms energy: -192.114161
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -40.150
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -53.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -584.107226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.107226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.107226 (E_RNA)
where:
Base-Base interactions energy: -395.749
where: short stacking energy: -174.862
Base-Backbone interact. energy: -0.492
local terms energy: -187.866474
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -41.641
flat angles C4'-P-C4' energy: -45.666
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -56.703
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: 308
Temperature: 1.150000
Total energy: -531.599550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.599550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.599550 (E_RNA)
where:
Base-Base interactions energy: -355.818
where: short stacking energy: -154.443
Base-Backbone interact. energy: -0.403
local terms energy: -175.378279
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -40.217
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -52.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -533.549562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.549562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.549562 (E_RNA)
where:
Base-Base interactions energy: -349.022
where: short stacking energy: -158.162
Base-Backbone interact. energy: -0.830
local terms energy: -183.698210
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -40.106
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: -47.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -323.598447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.598447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.598447 (E_RNA)
where:
Base-Base interactions energy: -184.103
where: short stacking energy: -99.499
Base-Backbone interact. energy: 1.267
local terms energy: -140.762004
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -39.915
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -172.485623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.485623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.485623 (E_RNA)
where:
Base-Base interactions energy: -60.766
where: short stacking energy: -55.645
Base-Backbone interact. energy: -1.077
local terms energy: -110.642155
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: 4.926
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: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -183.464872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.464872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.464872 (E_RNA)
where:
Base-Base interactions energy: -66.033
where: short stacking energy: -56.542
Base-Backbone interact. energy: 0.752
local terms energy: -118.184268
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -32.069
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -2.919
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: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -675.213221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.213221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.213221 (E_RNA)
where:
Base-Base interactions energy: -452.977
where: short stacking energy: -216.544
Base-Backbone interact. energy: -0.028
local terms energy: -222.207727
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -38.916
flat angles C4'-P-C4' energy: -46.731
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -69.016
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: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -633.427907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.427907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.427907 (E_RNA)
where:
Base-Base interactions energy: -427.685
where: short stacking energy: -190.249
Base-Backbone interact. energy: -0.622
local terms energy: -205.120463
where:
bonds (distance) C4'-P energy: -43.723
bonds (distance) P-C4' energy: -40.242
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -58.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -585.705322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.705322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.705322 (E_RNA)
where:
Base-Base interactions energy: -381.305
where: short stacking energy: -170.821
Base-Backbone interact. energy: -0.132
local terms energy: -204.268160
where:
bonds (distance) C4'-P energy: -43.105
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -39.645
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -55.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -577.583656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.583656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.583656 (E_RNA)
where:
Base-Base interactions energy: -374.120
where: short stacking energy: -170.095
Base-Backbone interact. energy: -0.979
local terms energy: -202.483899
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -45.609
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -53.863
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: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -571.070678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.070678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.070678 (E_RNA)
where:
Base-Base interactions energy: -367.779
where: short stacking energy: -170.109
Base-Backbone interact. energy: -1.644
local terms energy: -201.648100
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -44.787
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -488.760036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.760036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.760036 (E_RNA)
where:
Base-Base interactions energy: -322.617
where: short stacking energy: -147.987
Base-Backbone interact. energy: -0.830
local terms energy: -165.313067
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -40.473
flat angles P-C4'-P energy: -24.806
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: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -523.234756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.234756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.234756 (E_RNA)
where:
Base-Base interactions energy: -345.952
where: short stacking energy: -165.373
Base-Backbone interact. energy: 0.563
local terms energy: -177.845288
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -32.485
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -25.989
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: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -298.433410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.433410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.433410 (E_RNA)
where:
Base-Base interactions energy: -168.158
where: short stacking energy: -87.292
Base-Backbone interact. energy: 0.537
local terms energy: -130.812792
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -30.560
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -14.180
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: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -191.335038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.335038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.335038 (E_RNA)
where:
Base-Base interactions energy: -74.540
where: short stacking energy: -63.835
Base-Backbone interact. energy: -1.113
local terms energy: -115.681970
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -32.413
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -184.181275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.181275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.181275 (E_RNA)
where:
Base-Base interactions energy: -64.980
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.700
local terms energy: -118.501294
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -36.512
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -5.208
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: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -678.778738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.778738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.778738 (E_RNA)
where:
Base-Base interactions energy: -460.827
where: short stacking energy: -200.579
Base-Backbone interact. energy: -0.605
local terms energy: -217.346138
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -66.325
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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -658.996479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.996479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.996479 (E_RNA)
where:
Base-Base interactions energy: -448.310
where: short stacking energy: -199.488
Base-Backbone interact. energy: -0.925
local terms energy: -209.761301
where:
bonds (distance) C4'-P energy: -41.937
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -41.269
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -57.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -596.815612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.815612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.815612 (E_RNA)
where:
Base-Base interactions energy: -396.476
where: short stacking energy: -184.023
Base-Backbone interact. energy: -0.584
local terms energy: -199.755306
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -44.336
flat angles C4'-P-C4' energy: -39.706
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -50.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -567.298148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.298148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.298148 (E_RNA)
where:
Base-Base interactions energy: -379.708
where: short stacking energy: -167.349
Base-Backbone interact. energy: -0.199
local terms energy: -187.390554
where:
bonds (distance) C4'-P energy: -35.402
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -38.623
flat angles P-C4'-P energy: -30.741
tors. eta vs tors. theta energy: -49.381
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -568.383915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.383915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.383915 (E_RNA)
where:
Base-Base interactions energy: -377.021
where: short stacking energy: -162.637
Base-Backbone interact. energy: -0.650
local terms energy: -190.712676
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -52.407
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: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -515.925834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.925834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.925834 (E_RNA)
where:
Base-Base interactions energy: -327.081
where: short stacking energy: -140.333
Base-Backbone interact. energy: -0.391
local terms energy: -188.454665
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -38.760
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -45.178
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: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -537.539759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.539759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.539759 (E_RNA)
where:
Base-Base interactions energy: -357.260
where: short stacking energy: -160.404
Base-Backbone interact. energy: 0.362
local terms energy: -180.641647
where:
bonds (distance) C4'-P energy: -26.710
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -44.231
flat angles P-C4'-P energy: -29.977
tors. eta vs tors. theta energy: -45.993
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -276.870595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.870595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.870595 (E_RNA)
where:
Base-Base interactions energy: -142.160
where: short stacking energy: -79.313
Base-Backbone interact. energy: -2.046
local terms energy: -132.664520
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -182.407657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.407657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.407657 (E_RNA)
where:
Base-Base interactions energy: -63.173
where: short stacking energy: -59.961
Base-Backbone interact. energy: 0.513
local terms energy: -119.747544
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: 1.774
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -181.518970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.518970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.518970 (E_RNA)
where:
Base-Base interactions energy: -52.192
where: short stacking energy: -48.650
Base-Backbone interact. energy: 2.962
local terms energy: -132.289046
where:
bonds (distance) C4'-P energy: -33.073
bonds (distance) P-C4' energy: -37.120
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -672.057670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.057670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.057670 (E_RNA)
where:
Base-Base interactions energy: -464.489
where: short stacking energy: -211.598
Base-Backbone interact. energy: -0.475
local terms energy: -207.093630
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -40.063
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -64.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -639.856071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.856071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.856071 (E_RNA)
where:
Base-Base interactions energy: -417.399
where: short stacking energy: -198.208
Base-Backbone interact. energy: -0.991
local terms energy: -221.466015
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -40.503
flat angles C4'-P-C4' energy: -44.215
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -65.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -569.677583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.677583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.677583 (E_RNA)
where:
Base-Base interactions energy: -390.841
where: short stacking energy: -172.095
Base-Backbone interact. energy: 0.265
local terms energy: -179.101657
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -39.787
flat angles P-C4'-P energy: -22.267
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: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -584.871912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.871912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.871912 (E_RNA)
where:
Base-Base interactions energy: -386.136
where: short stacking energy: -172.522
Base-Backbone interact. energy: -0.715
local terms energy: -198.020893
where:
bonds (distance) C4'-P energy: -38.114
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -58.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -556.551949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.551949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.551949 (E_RNA)
where:
Base-Base interactions energy: -367.959
where: short stacking energy: -163.647
Base-Backbone interact. energy: -0.284
local terms energy: -188.308490
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -41.639
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -51.487
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: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -539.985862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.985862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.985862 (E_RNA)
where:
Base-Base interactions energy: -366.906
where: short stacking energy: -150.969
Base-Backbone interact. energy: -0.641
local terms energy: -172.439115
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -40.563
flat angles C4'-P-C4' energy: -38.731
flat angles P-C4'-P energy: -21.985
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: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -506.298677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.298677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.298677 (E_RNA)
where:
Base-Base interactions energy: -336.493
where: short stacking energy: -137.568
Base-Backbone interact. energy: -0.555
local terms energy: -169.250499
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -42.063
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: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -202.504389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504389 (E_RNA)
where:
Base-Base interactions energy: -84.766
where: short stacking energy: -71.457
Base-Backbone interact. energy: -1.187
local terms energy: -116.551557
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -205.733160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.733160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.733160 (E_RNA)
where:
Base-Base interactions energy: -108.316
where: short stacking energy: -60.987
Base-Backbone interact. energy: 0.977
local terms energy: -98.394589
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -175.645291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.645291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.645291 (E_RNA)
where:
Base-Base interactions energy: -61.168
where: short stacking energy: -40.725
Base-Backbone interact. energy: 1.217
local terms energy: -115.694668
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -684.126650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.126650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.126650 (E_RNA)
where:
Base-Base interactions energy: -446.703
where: short stacking energy: -210.490
Base-Backbone interact. energy: -1.102
local terms energy: -236.322162
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -31.812
tors. eta vs tors. theta energy: -66.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -639.057584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.057584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.057584 (E_RNA)
where:
Base-Base interactions energy: -421.708
where: short stacking energy: -207.270
Base-Backbone interact. energy: -0.222
local terms energy: -217.127520
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -42.601
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: -62.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -624.488745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.488745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.488745 (E_RNA)
where:
Base-Base interactions energy: -413.484
where: short stacking energy: -183.538
Base-Backbone interact. energy: -0.136
local terms energy: -210.868728
where:
bonds (distance) C4'-P energy: -44.070
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -58.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -575.716290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.716290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.716290 (E_RNA)
where:
Base-Base interactions energy: -379.588
where: short stacking energy: -163.142
Base-Backbone interact. energy: -0.706
local terms energy: -195.422047
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -44.710
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -46.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -568.481830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.481830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.481830 (E_RNA)
where:
Base-Base interactions energy: -360.662
where: short stacking energy: -179.243
Base-Backbone interact. energy: -0.568
local terms energy: -207.251894
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -52.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -565.291562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.291562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.291562 (E_RNA)
where:
Base-Base interactions energy: -387.849
where: short stacking energy: -172.269
Base-Backbone interact. energy: -0.310
local terms energy: -177.132027
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -48.642
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: 312
Temperature: 1.200000
Total energy: -493.935315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.935315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.935315 (E_RNA)
where:
Base-Base interactions energy: -338.775
where: short stacking energy: -156.312
Base-Backbone interact. energy: -0.379
local terms energy: -154.781843
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -45.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -208.274247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.274247 (E_RNA)
where:
Base-Base interactions energy: -87.497
where: short stacking energy: -55.750
Base-Backbone interact. energy: 1.002
local terms energy: -121.778787
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -4.520
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: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -191.279544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.279544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.279544 (E_RNA)
where:
Base-Base interactions energy: -73.230
where: short stacking energy: -66.617
Base-Backbone interact. energy: 0.283
local terms energy: -118.332423
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -161.856355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.856355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.856355 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -41.849
Base-Backbone interact. energy: 0.098
local terms energy: -115.060621
where:
bonds (distance) C4'-P energy: -32.859
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: 5.557
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: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -685.191740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.191740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.191740 (E_RNA)
where:
Base-Base interactions energy: -454.921
where: short stacking energy: -200.138
Base-Backbone interact. energy: -1.887
local terms energy: -228.384038
where:
bonds (distance) C4'-P energy: -44.092
bonds (distance) P-C4' energy: -41.680
flat angles C4'-P-C4' energy: -44.693
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -66.862
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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -624.356776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.356776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.356776 (E_RNA)
where:
Base-Base interactions energy: -418.530
where: short stacking energy: -183.344
Base-Backbone interact. energy: -1.231
local terms energy: -204.596085
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -44.592
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -58.894
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: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -635.444394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.444394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.444394 (E_RNA)
where:
Base-Base interactions energy: -430.016
where: short stacking energy: -190.081
Base-Backbone interact. energy: -0.575
local terms energy: -204.852986
where:
bonds (distance) C4'-P energy: -35.186
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -58.971
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -592.484481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.484481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.484481 (E_RNA)
where:
Base-Base interactions energy: -397.607
where: short stacking energy: -175.234
Base-Backbone interact. energy: -0.444
local terms energy: -194.433810
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -56.930
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: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -560.301688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.301688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.301688 (E_RNA)
where:
Base-Base interactions energy: -375.883
where: short stacking energy: -170.660
Base-Backbone interact. energy: -0.365
local terms energy: -184.053906
where:
bonds (distance) C4'-P energy: -32.243
bonds (distance) P-C4' energy: -37.743
flat angles C4'-P-C4' energy: -41.857
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -52.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -549.485940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.485940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.485940 (E_RNA)
where:
Base-Base interactions energy: -360.312
where: short stacking energy: -168.849
Base-Backbone interact. energy: -0.757
local terms energy: -188.416753
where:
bonds (distance) C4'-P energy: -36.892
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -47.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -427.681296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.681296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.681296 (E_RNA)
where:
Base-Base interactions energy: -294.436
where: short stacking energy: -111.256
Base-Backbone interact. energy: -1.677
local terms energy: -131.568794
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -199.144096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.144096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.144096 (E_RNA)
where:
Base-Base interactions energy: -76.528
where: short stacking energy: -59.640
Base-Backbone interact. energy: -1.144
local terms energy: -121.471934
where:
bonds (distance) C4'-P energy: -35.058
bonds (distance) P-C4' energy: -41.595
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: 3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -233.113151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.113151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.113151 (E_RNA)
where:
Base-Base interactions energy: -111.720
where: short stacking energy: -71.551
Base-Backbone interact. energy: -0.761
local terms energy: -120.632179
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -36.094
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -170.025642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.025642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.025642 (E_RNA)
where:
Base-Base interactions energy: -55.785
where: short stacking energy: -45.732
Base-Backbone interact. energy: -0.157
local terms energy: -114.083719
where:
bonds (distance) C4'-P energy: -33.293
bonds (distance) P-C4' energy: -31.458
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -687.691820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.691820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.691820 (E_RNA)
where:
Base-Base interactions energy: -455.391
where: short stacking energy: -219.842
Base-Backbone interact. energy: -1.010
local terms energy: -231.290756
where:
bonds (distance) C4'-P energy: -41.532
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -69.545
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: 314
Temperature: 0.950000
Total energy: -628.652328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.652328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.652328 (E_RNA)
where:
Base-Base interactions energy: -420.346
where: short stacking energy: -176.396
Base-Backbone interact. energy: -1.020
local terms energy: -207.286676
where:
bonds (distance) C4'-P energy: -40.792
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -45.210
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -57.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -615.871022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.871022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.871022 (E_RNA)
where:
Base-Base interactions energy: -413.050
where: short stacking energy: -192.774
Base-Backbone interact. energy: -0.390
local terms energy: -202.431169
where:
bonds (distance) C4'-P energy: -39.252
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -39.314
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -63.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -601.241126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.241126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.241126 (E_RNA)
where:
Base-Base interactions energy: -411.165
where: short stacking energy: -166.181
Base-Backbone interact. energy: -0.622
local terms energy: -189.453932
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -39.710
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -56.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -568.489096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.489096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.489096 (E_RNA)
where:
Base-Base interactions energy: -372.337
where: short stacking energy: -177.662
Base-Backbone interact. energy: -1.005
local terms energy: -195.147180
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -43.318
flat angles P-C4'-P energy: -28.423
tors. eta vs tors. theta energy: -48.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -546.179439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.179439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.179439 (E_RNA)
where:
Base-Base interactions energy: -378.266
where: short stacking energy: -172.264
Base-Backbone interact. energy: 0.953
local terms energy: -168.866803
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -49.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -431.685179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.685179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.685179 (E_RNA)
where:
Base-Base interactions energy: -277.035
where: short stacking energy: -126.608
Base-Backbone interact. energy: -0.311
local terms energy: -154.339698
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -29.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -198.438831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.438831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.438831 (E_RNA)
where:
Base-Base interactions energy: -77.935
where: short stacking energy: -65.808
Base-Backbone interact. energy: -1.168
local terms energy: -119.336375
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: 2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -184.726068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.726068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.726068 (E_RNA)
where:
Base-Base interactions energy: -63.830
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.576
local terms energy: -120.320123
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -39.842
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -178.517482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.517482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.517482 (E_RNA)
where:
Base-Base interactions energy: -70.070
where: short stacking energy: -43.847
Base-Backbone interact. energy: -0.062
local terms energy: -108.385362
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -658.799999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.799999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.799999 (E_RNA)
where:
Base-Base interactions energy: -432.981
where: short stacking energy: -202.246
Base-Backbone interact. energy: 0.167
local terms energy: -225.985301
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -47.535
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: -67.097
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: 315
Temperature: 0.950000
Total energy: -646.778283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.778283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.778283 (E_RNA)
where:
Base-Base interactions energy: -428.915
where: short stacking energy: -208.490
Base-Backbone interact. energy: -0.017
local terms energy: -217.846787
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -65.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -613.107105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.107105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.107105 (E_RNA)
where:
Base-Base interactions energy: -404.855
where: short stacking energy: -166.669
Base-Backbone interact. energy: -1.361
local terms energy: -206.890845
where:
bonds (distance) C4'-P energy: -37.296
bonds (distance) P-C4' energy: -45.543
flat angles C4'-P-C4' energy: -47.352
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -57.427
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: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -595.113420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.113420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.113420 (E_RNA)
where:
Base-Base interactions energy: -399.974
where: short stacking energy: -177.742
Base-Backbone interact. energy: -0.252
local terms energy: -194.887636
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -40.390
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -57.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -545.533894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.533894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.533894 (E_RNA)
where:
Base-Base interactions energy: -359.787
where: short stacking energy: -165.823
Base-Backbone interact. energy: -0.745
local terms energy: -185.001468
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -47.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -533.565293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.565293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.565293 (E_RNA)
where:
Base-Base interactions energy: -370.853
where: short stacking energy: -151.304
Base-Backbone interact. energy: -0.371
local terms energy: -162.341271
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -389.775038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.775038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.775038 (E_RNA)
where:
Base-Base interactions energy: -228.025
where: short stacking energy: -100.441
Base-Backbone interact. energy: -0.165
local terms energy: -161.585206
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -46.551
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -201.200064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.200064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.200064 (E_RNA)
where:
Base-Base interactions energy: -89.252
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.600
local terms energy: -111.347886
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: 2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -175.329762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.329762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.329762 (E_RNA)
where:
Base-Base interactions energy: -72.492
where: short stacking energy: -63.311
Base-Backbone interact. energy: -0.403
local terms energy: -102.434493
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -9.309
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -181.475013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.475013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.475013 (E_RNA)
where:
Base-Base interactions energy: -63.610
where: short stacking energy: -58.742
Base-Backbone interact. energy: 1.928
local terms energy: -119.792939
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -672.055098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.055098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.055098 (E_RNA)
where:
Base-Base interactions energy: -446.114
where: short stacking energy: -214.800
Base-Backbone interact. energy: -0.026
local terms energy: -225.915089
where:
bonds (distance) C4'-P energy: -37.414
bonds (distance) P-C4' energy: -41.837
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -66.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -672.823315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.823315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.823315 (E_RNA)
where:
Base-Base interactions energy: -454.874
where: short stacking energy: -201.231
Base-Backbone interact. energy: -0.385
local terms energy: -217.565196
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -41.574
flat angles C4'-P-C4' energy: -39.295
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -64.710
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -611.891241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.891241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.891241 (E_RNA)
where:
Base-Base interactions energy: -400.223
where: short stacking energy: -176.376
Base-Backbone interact. energy: 0.274
local terms energy: -211.941838
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -39.091
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -33.410
tors. eta vs tors. theta energy: -57.992
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: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -580.730952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.730952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.730952 (E_RNA)
where:
Base-Base interactions energy: -391.664
where: short stacking energy: -174.573
Base-Backbone interact. energy: 0.418
local terms energy: -189.485016
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -40.966
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -51.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -551.797173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.797173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.797173 (E_RNA)
where:
Base-Base interactions energy: -362.490
where: short stacking energy: -174.396
Base-Backbone interact. energy: -0.696
local terms energy: -188.610443
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -42.089
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -54.297
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -517.510402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.510402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.510402 (E_RNA)
where:
Base-Base interactions energy: -341.366
where: short stacking energy: -145.285
Base-Backbone interact. energy: -0.942
local terms energy: -175.202436
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -33.831
flat angles C4'-P-C4' energy: -37.212
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -39.312
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: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -420.064896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.064896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.064896 (E_RNA)
where:
Base-Base interactions energy: -263.633
where: short stacking energy: -105.294
Base-Backbone interact. energy: 1.501
local terms energy: -157.933323
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -229.797704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.797704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.797704 (E_RNA)
where:
Base-Base interactions energy: -94.153
where: short stacking energy: -61.538
Base-Backbone interact. energy: 1.223
local terms energy: -136.867321
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -181.520142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.520142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.520142 (E_RNA)
where:
Base-Base interactions energy: -56.165
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.537
local terms energy: -124.817771
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -41.314
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -183.463331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.463331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.463331 (E_RNA)
where:
Base-Base interactions energy: -64.860
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.739
local terms energy: -117.863942
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -665.601272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.601272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.601272 (E_RNA)
where:
Base-Base interactions energy: -440.789
where: short stacking energy: -209.980
Base-Backbone interact. energy: 0.646
local terms energy: -225.458640
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -66.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -668.313608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.313608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.313608 (E_RNA)
where:
Base-Base interactions energy: -441.755
where: short stacking energy: -206.747
Base-Backbone interact. energy: -0.351
local terms energy: -226.208034
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -40.052
flat angles C4'-P-C4' energy: -43.183
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -65.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -610.015683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.015683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.015683 (E_RNA)
where:
Base-Base interactions energy: -402.646
where: short stacking energy: -187.170
Base-Backbone interact. energy: -0.074
local terms energy: -207.295583
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -40.403
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -59.491
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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -562.407621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.407621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.407621 (E_RNA)
where:
Base-Base interactions energy: -362.923
where: short stacking energy: -172.321
Base-Backbone interact. energy: -1.386
local terms energy: -198.098562
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -39.651
flat angles P-C4'-P energy: -28.555
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -575.175067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.175067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.175067 (E_RNA)
where:
Base-Base interactions energy: -383.782
where: short stacking energy: -161.203
Base-Backbone interact. energy: -0.045
local terms energy: -191.347856
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -58.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -537.959851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.959851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.959851 (E_RNA)
where:
Base-Base interactions energy: -350.333
where: short stacking energy: -149.346
Base-Backbone interact. energy: -1.106
local terms energy: -186.521531
where:
bonds (distance) C4'-P energy: -39.582
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -40.850
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -38.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -451.785429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.785429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.785429 (E_RNA)
where:
Base-Base interactions energy: -302.722
where: short stacking energy: -130.380
Base-Backbone interact. energy: -0.601
local terms energy: -148.462624
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -34.885
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: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -195.236677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.236677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.236677 (E_RNA)
where:
Base-Base interactions energy: -75.449
where: short stacking energy: -57.973
Base-Backbone interact. energy: 1.090
local terms energy: -120.877424
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -204.967332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.967332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.967332 (E_RNA)
where:
Base-Base interactions energy: -86.894
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.231
local terms energy: -117.841695
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -25.288
tors. eta vs tors. theta energy: -3.966
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: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -191.847420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847420 (E_RNA)
where:
Base-Base interactions energy: -80.021
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.717
local terms energy: -111.109999
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -664.907494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.907494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.907494 (E_RNA)
where:
Base-Base interactions energy: -439.684
where: short stacking energy: -202.602
Base-Backbone interact. energy: -0.323
local terms energy: -224.901265
where:
bonds (distance) C4'-P energy: -36.034
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -47.816
flat angles P-C4'-P energy: -32.698
tors. eta vs tors. theta energy: -63.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -658.682094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.682094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.682094 (E_RNA)
where:
Base-Base interactions energy: -439.680
where: short stacking energy: -211.038
Base-Backbone interact. energy: -0.951
local terms energy: -218.051113
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -45.524
flat angles C4'-P-C4' energy: -42.165
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -64.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -611.441585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.441585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.441585 (E_RNA)
where:
Base-Base interactions energy: -407.482
where: short stacking energy: -170.561
Base-Backbone interact. energy: 0.267
local terms energy: -204.226593
where:
bonds (distance) C4'-P energy: -35.399
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -54.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -572.680039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.680039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.680039 (E_RNA)
where:
Base-Base interactions energy: -372.723
where: short stacking energy: -178.691
Base-Backbone interact. energy: -0.353
local terms energy: -199.603920
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -44.439
flat angles P-C4'-P energy: -31.211
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: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -585.231958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.231958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.231958 (E_RNA)
where:
Base-Base interactions energy: -390.576
where: short stacking energy: -150.441
Base-Backbone interact. energy: -0.478
local terms energy: -194.177572
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -38.425
flat angles C4'-P-C4' energy: -50.843
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -44.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -521.551655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.551655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.551655 (E_RNA)
where:
Base-Base interactions energy: -350.748
where: short stacking energy: -159.980
Base-Backbone interact. energy: -0.689
local terms energy: -170.115093
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -35.079
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -44.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -444.717191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.717191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.717191 (E_RNA)
where:
Base-Base interactions energy: -280.989
where: short stacking energy: -119.569
Base-Backbone interact. energy: -0.335
local terms energy: -163.393500
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -37.468
flat angles C4'-P-C4' energy: -36.952
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -32.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -202.723759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.723759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.723759 (E_RNA)
where:
Base-Base interactions energy: -68.168
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.091
local terms energy: -134.464591
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -40.329
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -7.920
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: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -178.957451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.957451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.957451 (E_RNA)
where:
Base-Base interactions energy: -59.631
where: short stacking energy: -42.542
Base-Backbone interact. energy: -2.625
local terms energy: -116.701920
where:
bonds (distance) C4'-P energy: -40.078
bonds (distance) P-C4' energy: -40.606
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: 14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -178.558531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.558531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.558531 (E_RNA)
where:
Base-Base interactions energy: -63.840
where: short stacking energy: -37.500
Base-Backbone interact. energy: -1.668
local terms energy: -113.050020
where:
bonds (distance) C4'-P energy: -43.499
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: 10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -662.890345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.890345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.890345 (E_RNA)
where:
Base-Base interactions energy: -455.792
where: short stacking energy: -194.491
Base-Backbone interact. energy: -0.336
local terms energy: -206.762348
where:
bonds (distance) C4'-P energy: -39.670
bonds (distance) P-C4' energy: -38.422
flat angles C4'-P-C4' energy: -49.113
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: -58.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -657.608762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.608762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.608762 (E_RNA)
where:
Base-Base interactions energy: -458.751
where: short stacking energy: -193.649
Base-Backbone interact. energy: -0.730
local terms energy: -198.128353
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -60.560
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: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -631.903253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.903253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.903253 (E_RNA)
where:
Base-Base interactions energy: -425.196
where: short stacking energy: -187.860
Base-Backbone interact. energy: -0.316
local terms energy: -206.390470
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -39.652
flat angles P-C4'-P energy: -28.370
tors. eta vs tors. theta energy: -60.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -606.723948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.723948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.723948 (E_RNA)
where:
Base-Base interactions energy: -397.938
where: short stacking energy: -164.859
Base-Backbone interact. energy: 0.527
local terms energy: -209.312429
where:
bonds (distance) C4'-P energy: -44.935
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -42.547
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -53.257
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: 319
Temperature: 1.100000
Total energy: -573.394912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.394912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.394912 (E_RNA)
where:
Base-Base interactions energy: -369.060
where: short stacking energy: -158.058
Base-Backbone interact. energy: -0.119
local terms energy: -204.215213
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -38.706
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -48.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -541.696057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.696057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.696057 (E_RNA)
where:
Base-Base interactions energy: -351.450
where: short stacking energy: -164.971
Base-Backbone interact. energy: -0.215
local terms energy: -190.030629
where:
bonds (distance) C4'-P energy: -38.465
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -42.617
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -44.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -429.248820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.248820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.248820 (E_RNA)
where:
Base-Base interactions energy: -272.992
where: short stacking energy: -123.383
Base-Backbone interact. energy: -0.352
local terms energy: -155.904405
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -29.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -204.644678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.644678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.644678 (E_RNA)
where:
Base-Base interactions energy: -75.585
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.220
local terms energy: -128.839283
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -24.654
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: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -196.565950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.565950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.565950 (E_RNA)
where:
Base-Base interactions energy: -80.154
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.409
local terms energy: -116.003196
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -37.815
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: 9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -219.502286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.502286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.502286 (E_RNA)
where:
Base-Base interactions energy: -104.764
where: short stacking energy: -72.360
Base-Backbone interact. energy: -0.031
local terms energy: -114.707307
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -670.411102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.411102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.411102 (E_RNA)
where:
Base-Base interactions energy: -434.743
where: short stacking energy: -210.750
Base-Backbone interact. energy: -0.616
local terms energy: -235.052719
where:
bonds (distance) C4'-P energy: -42.677
bonds (distance) P-C4' energy: -45.644
flat angles C4'-P-C4' energy: -47.441
flat angles P-C4'-P energy: -34.009
tors. eta vs tors. theta energy: -65.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -654.269272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.269272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.269272 (E_RNA)
where:
Base-Base interactions energy: -435.379
where: short stacking energy: -189.944
Base-Backbone interact. energy: -0.221
local terms energy: -218.669905
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -35.247
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -28.388
tors. eta vs tors. theta energy: -61.280
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: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -603.452501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.452501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.452501 (E_RNA)
where:
Base-Base interactions energy: -397.273
where: short stacking energy: -170.625
Base-Backbone interact. energy: -0.364
local terms energy: -205.815225
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -36.824
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -59.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -618.764893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.764893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.764893 (E_RNA)
where:
Base-Base interactions energy: -408.188
where: short stacking energy: -175.710
Base-Backbone interact. energy: -0.625
local terms energy: -209.951963
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -41.314
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -60.046
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: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -578.250359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.250359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.250359 (E_RNA)
where:
Base-Base interactions energy: -402.722
where: short stacking energy: -172.056
Base-Backbone interact. energy: -0.586
local terms energy: -174.941662
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -40.395
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -51.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -537.796878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.796878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.796878 (E_RNA)
where:
Base-Base interactions energy: -353.258
where: short stacking energy: -168.359
Base-Backbone interact. energy: -0.607
local terms energy: -183.932010
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -35.605
tors. eta vs tors. theta energy: -50.536
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: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -425.234200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.234200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.234200 (E_RNA)
where:
Base-Base interactions energy: -275.775
where: short stacking energy: -130.029
Base-Backbone interact. energy: -0.471
local terms energy: -148.987587
where:
bonds (distance) C4'-P energy: -31.398
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -28.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -227.052000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.052000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.052000 (E_RNA)
where:
Base-Base interactions energy: -98.472
where: short stacking energy: -85.716
Base-Backbone interact. energy: -0.098
local terms energy: -128.482066
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -174.021153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.021153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.021153 (E_RNA)
where:
Base-Base interactions energy: -55.801
where: short stacking energy: -50.399
Base-Backbone interact. energy: -1.482
local terms energy: -116.737936
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: 0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -175.950845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.950845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.950845 (E_RNA)
where:
Base-Base interactions energy: -69.712
where: short stacking energy: -49.507
Base-Backbone interact. energy: 0.335
local terms energy: -106.574177
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: 9.299
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: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -684.629747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.629747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.629747 (E_RNA)
where:
Base-Base interactions energy: -463.021
where: short stacking energy: -213.505
Base-Backbone interact. energy: -0.586
local terms energy: -221.023099
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -42.852
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -65.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -646.880235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.880235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.880235 (E_RNA)
where:
Base-Base interactions energy: -437.734
where: short stacking energy: -200.572
Base-Backbone interact. energy: -0.923
local terms energy: -208.222659
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -42.959
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -63.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -608.710102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.710102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.710102 (E_RNA)
where:
Base-Base interactions energy: -405.085
where: short stacking energy: -172.383
Base-Backbone interact. energy: -1.190
local terms energy: -202.434880
where:
bonds (distance) C4'-P energy: -41.032
bonds (distance) P-C4' energy: -41.635
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -32.134
tors. eta vs tors. theta energy: -54.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -605.401981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.401981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.401981 (E_RNA)
where:
Base-Base interactions energy: -412.075
where: short stacking energy: -173.404
Base-Backbone interact. energy: -1.116
local terms energy: -192.210940
where:
bonds (distance) C4'-P energy: -35.306
bonds (distance) P-C4' energy: -41.406
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -45.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -576.959812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.959812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.959812 (E_RNA)
where:
Base-Base interactions energy: -373.271
where: short stacking energy: -171.584
Base-Backbone interact. energy: -0.176
local terms energy: -203.513616
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -36.512
flat angles C4'-P-C4' energy: -37.840
flat angles P-C4'-P energy: -38.193
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: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -548.972504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.972504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.972504 (E_RNA)
where:
Base-Base interactions energy: -357.175
where: short stacking energy: -163.513
Base-Backbone interact. energy: 0.398
local terms energy: -192.194682
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -45.300
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -46.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -446.696038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.696038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.696038 (E_RNA)
where:
Base-Base interactions energy: -280.284
where: short stacking energy: -122.308
Base-Backbone interact. energy: -0.911
local terms energy: -165.501112
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -35.502
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -31.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -192.696259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.696259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.696259 (E_RNA)
where:
Base-Base interactions energy: -72.123
where: short stacking energy: -58.706
Base-Backbone interact. energy: 1.448
local terms energy: -122.021882
where:
bonds (distance) C4'-P energy: -32.268
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: 3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -187.832768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.832768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.832768 (E_RNA)
where:
Base-Base interactions energy: -63.821
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.690
local terms energy: -123.321037
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -37.022
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -23.673
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: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -169.830289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.830289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.830289 (E_RNA)
where:
Base-Base interactions energy: -59.812
where: short stacking energy: -43.749
Base-Backbone interact. energy: 1.125
local terms energy: -111.143441
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -37.433
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: 7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -675.211341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.211341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.211341 (E_RNA)
where:
Base-Base interactions energy: -444.668
where: short stacking energy: -199.471
Base-Backbone interact. energy: -0.234
local terms energy: -230.308483
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -49.245
flat angles P-C4'-P energy: -32.759
tors. eta vs tors. theta energy: -65.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -640.290743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.290743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.290743 (E_RNA)
where:
Base-Base interactions energy: -430.970
where: short stacking energy: -188.269
Base-Backbone interact. energy: 0.141
local terms energy: -209.461237
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -47.630
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -54.880
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -610.319841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.319841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.319841 (E_RNA)
where:
Base-Base interactions energy: -408.180
where: short stacking energy: -178.747
Base-Backbone interact. energy: 1.343
local terms energy: -203.482795
where:
bonds (distance) C4'-P energy: -38.623
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -44.383
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -53.933
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: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -586.783879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.783879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.783879 (E_RNA)
where:
Base-Base interactions energy: -384.917
where: short stacking energy: -166.737
Base-Backbone interact. energy: -0.380
local terms energy: -201.487792
where:
bonds (distance) C4'-P energy: -38.908
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -45.043
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -56.078
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: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -578.864660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.864660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.864660 (E_RNA)
where:
Base-Base interactions energy: -387.364
where: short stacking energy: -182.450
Base-Backbone interact. energy: -0.248
local terms energy: -191.252879
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -41.924
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -48.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -543.093153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.093153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.093153 (E_RNA)
where:
Base-Base interactions energy: -367.417
where: short stacking energy: -155.871
Base-Backbone interact. energy: -0.242
local terms energy: -175.434247
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -52.388
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: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -433.208284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.208284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.208284 (E_RNA)
where:
Base-Base interactions energy: -274.658
where: short stacking energy: -115.937
Base-Backbone interact. energy: -0.581
local terms energy: -157.969959
where:
bonds (distance) C4'-P energy: -29.644
bonds (distance) P-C4' energy: -36.622
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -25.375
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: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -202.894572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.894572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.894572 (E_RNA)
where:
Base-Base interactions energy: -76.795
where: short stacking energy: -61.474
Base-Backbone interact. energy: 0.054
local terms energy: -126.153613
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -40.262
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -186.148727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.148727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.148727 (E_RNA)
where:
Base-Base interactions energy: -64.501
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.404
local terms energy: -121.243352
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -179.357923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.357923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.357923 (E_RNA)
where:
Base-Base interactions energy: -85.404
where: short stacking energy: -50.827
Base-Backbone interact. energy: 1.307
local terms energy: -95.260455
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: 8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -676.045608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.045608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.045608 (E_RNA)
where:
Base-Base interactions energy: -451.174
where: short stacking energy: -201.261
Base-Backbone interact. energy: -0.689
local terms energy: -224.182209
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -47.863
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -61.801
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: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -643.925645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.925645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.925645 (E_RNA)
where:
Base-Base interactions energy: -428.865
where: short stacking energy: -192.615
Base-Backbone interact. energy: -0.131
local terms energy: -214.930189
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -593.988414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.988414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.988414 (E_RNA)
where:
Base-Base interactions energy: -393.277
where: short stacking energy: -177.107
Base-Backbone interact. energy: -0.388
local terms energy: -200.323299
where:
bonds (distance) C4'-P energy: -40.691
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -43.993
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -56.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -611.164919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.164919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.164919 (E_RNA)
where:
Base-Base interactions energy: -401.623
where: short stacking energy: -170.793
Base-Backbone interact. energy: -0.181
local terms energy: -209.360978
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -59.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -565.876000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.876000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.876000 (E_RNA)
where:
Base-Base interactions energy: -357.549
where: short stacking energy: -162.972
Base-Backbone interact. energy: -0.830
local terms energy: -207.497024
where:
bonds (distance) C4'-P energy: -41.511
bonds (distance) P-C4' energy: -41.204
flat angles C4'-P-C4' energy: -42.167
flat angles P-C4'-P energy: -28.139
tors. eta vs tors. theta energy: -54.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -575.058777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.058777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.058777 (E_RNA)
where:
Base-Base interactions energy: -374.456
where: short stacking energy: -160.882
Base-Backbone interact. energy: -0.301
local terms energy: -200.301138
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -39.217
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -58.812
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: 323
Temperature: 1.200000
Total energy: -452.374101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.374101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.374101 (E_RNA)
where:
Base-Base interactions energy: -278.685
where: short stacking energy: -131.420
Base-Backbone interact. energy: 0.708
local terms energy: -174.397808
where:
bonds (distance) C4'-P energy: -37.382
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -41.652
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -38.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -198.711939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.711939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.711939 (E_RNA)
where:
Base-Base interactions energy: -94.149
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.568
local terms energy: -103.995131
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -36.997
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: 0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -181.309029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.309029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.309029 (E_RNA)
where:
Base-Base interactions energy: -79.189
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.960
local terms energy: -101.160061
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -11.550
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: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -173.696637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.696637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.696637 (E_RNA)
where:
Base-Base interactions energy: -67.202
where: short stacking energy: -47.627
Base-Backbone interact. energy: -1.051
local terms energy: -105.442916
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: 4.236
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: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -678.529149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.529149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.529149 (E_RNA)
where:
Base-Base interactions energy: -451.457
where: short stacking energy: -204.710
Base-Backbone interact. energy: -0.817
local terms energy: -226.255507
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -49.083
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: -67.517
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: 324
Temperature: 0.950000
Total energy: -645.813612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.813612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.813612 (E_RNA)
where:
Base-Base interactions energy: -420.538
where: short stacking energy: -199.475
Base-Backbone interact. energy: -0.253
local terms energy: -225.022521
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -38.238
flat angles C4'-P-C4' energy: -46.447
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -601.980281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.980281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.980281 (E_RNA)
where:
Base-Base interactions energy: -411.758
where: short stacking energy: -184.747
Base-Backbone interact. energy: -0.308
local terms energy: -189.913983
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -43.793
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -57.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -585.177298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.177298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.177298 (E_RNA)
where:
Base-Base interactions energy: -382.310
where: short stacking energy: -181.974
Base-Backbone interact. energy: -0.639
local terms energy: -202.228008
where:
bonds (distance) C4'-P energy: -40.947
bonds (distance) P-C4' energy: -36.428
flat angles C4'-P-C4' energy: -40.155
flat angles P-C4'-P energy: -29.872
tors. eta vs tors. theta energy: -54.826
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: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -589.466930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.466930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.466930 (E_RNA)
where:
Base-Base interactions energy: -388.492
where: short stacking energy: -163.373
Base-Backbone interact. energy: -0.469
local terms energy: -200.505539
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -59.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -524.373148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.373148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.373148 (E_RNA)
where:
Base-Base interactions energy: -340.807
where: short stacking energy: -156.909
Base-Backbone interact. energy: -0.276
local terms energy: -183.290581
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -38.262
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -425.750406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.750406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.750406 (E_RNA)
where:
Base-Base interactions energy: -256.353
where: short stacking energy: -117.389
Base-Backbone interact. energy: 1.364
local terms energy: -170.761419
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -38.882
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -28.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -185.937345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.937345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.937345 (E_RNA)
where:
Base-Base interactions energy: -58.873
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.652
local terms energy: -126.412493
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -35.958
flat angles C4'-P-C4' energy: -32.768
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -185.817357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.817357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.817357 (E_RNA)
where:
Base-Base interactions energy: -75.122
where: short stacking energy: -57.357
Base-Backbone interact. energy: 0.442
local terms energy: -111.137779
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -168.652476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.652476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.652476 (E_RNA)
where:
Base-Base interactions energy: -50.170
where: short stacking energy: -43.924
Base-Backbone interact. energy: -0.833
local terms energy: -117.649816
where:
bonds (distance) C4'-P energy: -41.087
bonds (distance) P-C4' energy: -40.416
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: 3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -676.666562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.666562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.666562 (E_RNA)
where:
Base-Base interactions energy: -457.925
where: short stacking energy: -210.565
Base-Backbone interact. energy: -0.858
local terms energy: -217.883321
where:
bonds (distance) C4'-P energy: -30.371
bonds (distance) P-C4' energy: -41.683
flat angles C4'-P-C4' energy: -44.002
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -69.820
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: 325
Temperature: 0.950000
Total energy: -645.188892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.188892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.188892 (E_RNA)
where:
Base-Base interactions energy: -425.244
where: short stacking energy: -186.890
Base-Backbone interact. energy: -0.477
local terms energy: -219.467818
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -49.545
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -58.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -599.352006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.352006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.352006 (E_RNA)
where:
Base-Base interactions energy: -396.226
where: short stacking energy: -169.110
Base-Backbone interact. energy: -0.292
local terms energy: -202.834509
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -41.029
flat angles C4'-P-C4' energy: -42.003
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -57.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -590.442018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.442018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.442018 (E_RNA)
where:
Base-Base interactions energy: -387.898
where: short stacking energy: -176.554
Base-Backbone interact. energy: -0.369
local terms energy: -202.175077
where:
bonds (distance) C4'-P energy: -41.132
bonds (distance) P-C4' energy: -31.876
flat angles C4'-P-C4' energy: -42.851
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -55.070
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: 325
Temperature: 1.100000
Total energy: -561.237332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.237332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.237332 (E_RNA)
where:
Base-Base interactions energy: -366.751
where: short stacking energy: -172.697
Base-Backbone interact. energy: -1.012
local terms energy: -193.474762
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -46.092
flat angles P-C4'-P energy: -31.449
tors. eta vs tors. theta energy: -52.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -553.859795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.859795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.859795 (E_RNA)
where:
Base-Base interactions energy: -365.711
where: short stacking energy: -154.793
Base-Backbone interact. energy: -0.144
local terms energy: -188.004065
where:
bonds (distance) C4'-P energy: -35.206
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -45.187
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: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -424.418934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.418934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.418934 (E_RNA)
where:
Base-Base interactions energy: -281.921
where: short stacking energy: -117.048
Base-Backbone interact. energy: -0.528
local terms energy: -141.969365
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -25.329
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: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -192.252037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252037 (E_RNA)
where:
Base-Base interactions energy: -72.841
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.441
local terms energy: -118.969663
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: 6.205
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: 325
Temperature: 1.300000
Total energy: -180.648833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.648833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.648833 (E_RNA)
where:
Base-Base interactions energy: -67.384
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.038
local terms energy: -113.227080
where:
bonds (distance) C4'-P energy: -36.487
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -172.678771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.678771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.678771 (E_RNA)
where:
Base-Base interactions energy: -59.942
where: short stacking energy: -37.100
Base-Backbone interact. energy: 1.714
local terms energy: -114.450702
where:
bonds (distance) C4'-P energy: -32.016
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: 9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -683.414080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.414080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.414080 (E_RNA)
where:
Base-Base interactions energy: -455.635
where: short stacking energy: -214.142
Base-Backbone interact. energy: -0.194
local terms energy: -227.584642
where:
bonds (distance) C4'-P energy: -40.094
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -42.310
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -69.400
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: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -638.074838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.074838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.074838 (E_RNA)
where:
Base-Base interactions energy: -420.715
where: short stacking energy: -178.355
Base-Backbone interact. energy: -0.530
local terms energy: -216.829972
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -44.170
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -599.966609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.966609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.966609 (E_RNA)
where:
Base-Base interactions energy: -398.783
where: short stacking energy: -176.940
Base-Backbone interact. energy: 0.458
local terms energy: -201.641674
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -41.869
flat angles C4'-P-C4' energy: -45.866
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -56.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -612.360309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.360309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.360309 (E_RNA)
where:
Base-Base interactions energy: -405.499
where: short stacking energy: -189.613
Base-Backbone interact. energy: -0.067
local terms energy: -206.794764
where:
bonds (distance) C4'-P energy: -33.706
bonds (distance) P-C4' energy: -38.581
flat angles C4'-P-C4' energy: -45.959
flat angles P-C4'-P energy: -32.994
tors. eta vs tors. theta energy: -55.554
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: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -582.715244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.715244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.715244 (E_RNA)
where:
Base-Base interactions energy: -387.968
where: short stacking energy: -175.193
Base-Backbone interact. energy: -0.513
local terms energy: -194.234214
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -42.209
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -51.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -548.908595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.908595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.908595 (E_RNA)
where:
Base-Base interactions energy: -365.374
where: short stacking energy: -167.686
Base-Backbone interact. energy: -1.658
local terms energy: -181.876003
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -22.144
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: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -448.814762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.814762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.814762 (E_RNA)
where:
Base-Base interactions energy: -298.360
where: short stacking energy: -125.487
Base-Backbone interact. energy: -0.649
local terms energy: -149.806404
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -28.599
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: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -216.893122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893122 (E_RNA)
where:
Base-Base interactions energy: -82.611
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.432
local terms energy: -133.850018
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -28.963
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -180.770776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.770776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.770776 (E_RNA)
where:
Base-Base interactions energy: -64.658
where: short stacking energy: -62.306
Base-Backbone interact. energy: -0.586
local terms energy: -115.526958
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -164.623185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.623185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.623185 (E_RNA)
where:
Base-Base interactions energy: -53.433
where: short stacking energy: -38.573
Base-Backbone interact. energy: 0.904
local terms energy: -112.094819
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -26.259
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -669.382800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.382800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.382800 (E_RNA)
where:
Base-Base interactions energy: -440.326
where: short stacking energy: -205.091
Base-Backbone interact. energy: -0.484
local terms energy: -228.572867
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -42.360
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -65.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -617.605318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.605318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.605318 (E_RNA)
where:
Base-Base interactions energy: -410.866
where: short stacking energy: -169.834
Base-Backbone interact. energy: -0.643
local terms energy: -206.096113
where:
bonds (distance) C4'-P energy: -36.024
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -47.547
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -50.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -622.856054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.856054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.856054 (E_RNA)
where:
Base-Base interactions energy: -422.093
where: short stacking energy: -181.167
Base-Backbone interact. energy: 1.544
local terms energy: -202.307489
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -55.798
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: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -594.513646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.513646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.513646 (E_RNA)
where:
Base-Base interactions energy: -390.880
where: short stacking energy: -181.172
Base-Backbone interact. energy: -0.137
local terms energy: -203.496626
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -42.633
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -56.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -577.141818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.141818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.141818 (E_RNA)
where:
Base-Base interactions energy: -381.813
where: short stacking energy: -191.243
Base-Backbone interact. energy: -0.899
local terms energy: -194.429918
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -43.784
flat angles P-C4'-P energy: -27.730
tors. eta vs tors. theta energy: -57.957
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -534.236984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.236984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.236984 (E_RNA)
where:
Base-Base interactions energy: -342.735
where: short stacking energy: -155.836
Base-Backbone interact. energy: -0.052
local terms energy: -191.449258
where:
bonds (distance) C4'-P energy: -43.230
bonds (distance) P-C4' energy: -38.200
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -48.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -455.665018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.665018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.665018 (E_RNA)
where:
Base-Base interactions energy: -291.817
where: short stacking energy: -131.852
Base-Backbone interact. energy: -0.578
local terms energy: -163.270261
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -39.595
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -38.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -197.191748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.191748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.191748 (E_RNA)
where:
Base-Base interactions energy: -78.027
where: short stacking energy: -46.946
Base-Backbone interact. energy: -0.899
local terms energy: -118.265005
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -29.246
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -178.238464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.238464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.238464 (E_RNA)
where:
Base-Base interactions energy: -61.518
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.110
local terms energy: -116.610716
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -38.918
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -20.152
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: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -177.918853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.918853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.918853 (E_RNA)
where:
Base-Base interactions energy: -58.650
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.744
local terms energy: -118.525414
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -700.763747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.763747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.763747 (E_RNA)
where:
Base-Base interactions energy: -463.127
where: short stacking energy: -209.321
Base-Backbone interact. energy: -2.655
local terms energy: -234.982114
where:
bonds (distance) C4'-P energy: -43.342
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -45.129
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -67.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -617.041964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.041964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.041964 (E_RNA)
where:
Base-Base interactions energy: -405.302
where: short stacking energy: -181.455
Base-Backbone interact. energy: -0.657
local terms energy: -211.082735
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -39.716
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -29.057
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: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -620.579478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.579478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.579478 (E_RNA)
where:
Base-Base interactions energy: -407.743
where: short stacking energy: -181.100
Base-Backbone interact. energy: -0.145
local terms energy: -212.692210
where:
bonds (distance) C4'-P energy: -39.865
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -44.368
flat angles P-C4'-P energy: -32.388
tors. eta vs tors. theta energy: -56.856
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: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -621.107960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.107960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.107960 (E_RNA)
where:
Base-Base interactions energy: -422.023
where: short stacking energy: -198.121
Base-Backbone interact. energy: -0.297
local terms energy: -198.787634
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -39.442
flat angles C4'-P-C4' energy: -42.647
flat angles P-C4'-P energy: -30.177
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -571.543282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.543282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.543282 (E_RNA)
where:
Base-Base interactions energy: -375.385
where: short stacking energy: -188.513
Base-Backbone interact. energy: -0.560
local terms energy: -195.598601
where:
bonds (distance) C4'-P energy: -29.241
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -42.571
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -56.128
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -531.407153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.407153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.407153 (E_RNA)
where:
Base-Base interactions energy: -347.273
where: short stacking energy: -155.224
Base-Backbone interact. energy: -1.587
local terms energy: -182.546996
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -51.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -439.009710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.009710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.009710 (E_RNA)
where:
Base-Base interactions energy: -277.293
where: short stacking energy: -114.057
Base-Backbone interact. energy: -0.865
local terms energy: -160.852323
where:
bonds (distance) C4'-P energy: -37.552
bonds (distance) P-C4' energy: -38.661
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -28.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -203.102129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.102129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.102129 (E_RNA)
where:
Base-Base interactions energy: -75.297
where: short stacking energy: -47.533
Base-Backbone interact. energy: -0.613
local terms energy: -127.191346
where:
bonds (distance) C4'-P energy: -31.983
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -187.142933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.142933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.142933 (E_RNA)
where:
Base-Base interactions energy: -68.040
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.903
local terms energy: -118.200301
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -189.031011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.031011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.031011 (E_RNA)
where:
Base-Base interactions energy: -76.068
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.853
local terms energy: -112.109849
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: 6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -684.325954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.325954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.325954 (E_RNA)
where:
Base-Base interactions energy: -457.624
where: short stacking energy: -201.857
Base-Backbone interact. energy: -2.297
local terms energy: -224.404539
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -45.866
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -70.304
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: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -623.677327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.677327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.677327 (E_RNA)
where:
Base-Base interactions energy: -410.717
where: short stacking energy: -175.627
Base-Backbone interact. energy: -0.201
local terms energy: -212.758921
where:
bonds (distance) C4'-P energy: -40.751
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -45.303
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -59.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -616.159541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.159541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.159541 (E_RNA)
where:
Base-Base interactions energy: -408.258
where: short stacking energy: -187.168
Base-Backbone interact. energy: -0.125
local terms energy: -207.777196
where:
bonds (distance) C4'-P energy: -38.045
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -38.893
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -60.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -619.225259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.225259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.225259 (E_RNA)
where:
Base-Base interactions energy: -411.446
where: short stacking energy: -184.499
Base-Backbone interact. energy: 0.501
local terms energy: -208.280286
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -57.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -547.189166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.189166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.189166 (E_RNA)
where:
Base-Base interactions energy: -373.495
where: short stacking energy: -174.699
Base-Backbone interact. energy: -1.168
local terms energy: -172.526159
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -34.024
flat angles C4'-P-C4' energy: -41.136
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -51.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -540.648274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.648274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.648274 (E_RNA)
where:
Base-Base interactions energy: -366.792
where: short stacking energy: -167.002
Base-Backbone interact. energy: -0.394
local terms energy: -173.462183
where:
bonds (distance) C4'-P energy: -34.736
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -43.061
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -46.428
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: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -440.468022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.468022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.468022 (E_RNA)
where:
Base-Base interactions energy: -298.404
where: short stacking energy: -128.168
Base-Backbone interact. energy: -0.818
local terms energy: -141.246092
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -42.219
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -195.130606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.130606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.130606 (E_RNA)
where:
Base-Base interactions energy: -79.950
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.418
local terms energy: -114.763378
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -31.958
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -184.256576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.256576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.256576 (E_RNA)
where:
Base-Base interactions energy: -54.239
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.342
local terms energy: -129.676418
where:
bonds (distance) C4'-P energy: -42.769
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -3.261
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: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -179.333497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.333497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.333497 (E_RNA)
where:
Base-Base interactions energy: -69.199
where: short stacking energy: -47.165
Base-Backbone interact. energy: 1.222
local terms energy: -111.356722
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -687.996028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.996028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.996028 (E_RNA)
where:
Base-Base interactions energy: -460.220
where: short stacking energy: -213.626
Base-Backbone interact. energy: -1.461
local terms energy: -226.314458
where:
bonds (distance) C4'-P energy: -41.802
bonds (distance) P-C4' energy: -42.475
flat angles C4'-P-C4' energy: -42.741
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -64.359
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: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -634.976321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.976321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.976321 (E_RNA)
where:
Base-Base interactions energy: -420.056
where: short stacking energy: -172.159
Base-Backbone interact. energy: -0.206
local terms energy: -214.714633
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -31.112
tors. eta vs tors. theta energy: -58.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -629.023664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.023664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.023664 (E_RNA)
where:
Base-Base interactions energy: -420.389
where: short stacking energy: -191.101
Base-Backbone interact. energy: -1.055
local terms energy: -207.579963
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -44.217
flat angles C4'-P-C4' energy: -43.393
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -52.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -623.586695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.586695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.586695 (E_RNA)
where:
Base-Base interactions energy: -428.424
where: short stacking energy: -182.596
Base-Backbone interact. energy: -0.114
local terms energy: -195.048622
where:
bonds (distance) C4'-P energy: -35.923
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -40.482
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -62.207
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: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -572.274292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.274292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.274292 (E_RNA)
where:
Base-Base interactions energy: -379.859
where: short stacking energy: -171.646
Base-Backbone interact. energy: -0.123
local terms energy: -192.292152
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -56.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -524.373800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.373800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.373800 (E_RNA)
where:
Base-Base interactions energy: -339.753
where: short stacking energy: -166.119
Base-Backbone interact. energy: -0.267
local terms energy: -184.354011
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -51.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -436.568625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.568625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.568625 (E_RNA)
where:
Base-Base interactions energy: -276.852
where: short stacking energy: -129.893
Base-Backbone interact. energy: 0.360
local terms energy: -160.076732
where:
bonds (distance) C4'-P energy: -39.733
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -28.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -184.726253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.726253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.726253 (E_RNA)
where:
Base-Base interactions energy: -63.124
where: short stacking energy: -56.558
Base-Backbone interact. energy: -0.463
local terms energy: -121.139352
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -193.393039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.393039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.393039 (E_RNA)
where:
Base-Base interactions energy: -92.540
where: short stacking energy: -58.559
Base-Backbone interact. energy: 0.861
local terms energy: -101.714994
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -162.306343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.306343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.306343 (E_RNA)
where:
Base-Base interactions energy: -51.166
where: short stacking energy: -43.896
Base-Backbone interact. energy: 0.206
local terms energy: -111.345740
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: 5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -684.457003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.457003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.457003 (E_RNA)
where:
Base-Base interactions energy: -450.898
where: short stacking energy: -212.164
Base-Backbone interact. energy: -0.867
local terms energy: -232.691290
where:
bonds (distance) C4'-P energy: -39.339
bonds (distance) P-C4' energy: -45.187
flat angles C4'-P-C4' energy: -44.405
flat angles P-C4'-P energy: -31.052
tors. eta vs tors. theta energy: -72.709
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -619.863229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.863229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.863229 (E_RNA)
where:
Base-Base interactions energy: -420.044
where: short stacking energy: -170.320
Base-Backbone interact. energy: -0.901
local terms energy: -198.918905
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -51.071
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: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -615.023090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.023090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.023090 (E_RNA)
where:
Base-Base interactions energy: -405.186
where: short stacking energy: -178.934
Base-Backbone interact. energy: -0.043
local terms energy: -209.793538
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -59.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -601.016659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.016659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.016659 (E_RNA)
where:
Base-Base interactions energy: -407.908
where: short stacking energy: -174.922
Base-Backbone interact. energy: -0.339
local terms energy: -192.769729
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -23.807
tors. eta vs tors. theta energy: -53.944
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: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -550.864094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.864094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.864094 (E_RNA)
where:
Base-Base interactions energy: -372.277
where: short stacking energy: -180.082
Base-Backbone interact. energy: -0.136
local terms energy: -178.450755
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -53.506
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: 331
Temperature: 1.150000
Total energy: -533.987237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.987237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.987237 (E_RNA)
where:
Base-Base interactions energy: -360.064
where: short stacking energy: -159.230
Base-Backbone interact. energy: -0.876
local terms energy: -173.047540
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -42.779
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -48.336
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: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -442.643137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.643137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.643137 (E_RNA)
where:
Base-Base interactions energy: -279.720
where: short stacking energy: -115.512
Base-Backbone interact. energy: -0.375
local terms energy: -162.547826
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -41.089
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -211.868647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.868647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.868647 (E_RNA)
where:
Base-Base interactions energy: -61.895
where: short stacking energy: -54.709
Base-Backbone interact. energy: -0.694
local terms energy: -149.279747
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -39.875
flat angles C4'-P-C4' energy: -37.304
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -13.719
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: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -183.223140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.223140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.223140 (E_RNA)
where:
Base-Base interactions energy: -71.475
where: short stacking energy: -52.469
Base-Backbone interact. energy: -1.051
local terms energy: -110.697420
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: 1.514
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: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -170.080640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.080640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.080640 (E_RNA)
where:
Base-Base interactions energy: -77.968
where: short stacking energy: -48.576
Base-Backbone interact. energy: -1.390
local terms energy: -90.723112
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: 6.067
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: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -687.770926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.770926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.770926 (E_RNA)
where:
Base-Base interactions energy: -467.856
where: short stacking energy: -210.441
Base-Backbone interact. energy: -0.140
local terms energy: -219.775008
where:
bonds (distance) C4'-P energy: -43.964
bonds (distance) P-C4' energy: -40.346
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -64.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -619.249384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.249384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.249384 (E_RNA)
where:
Base-Base interactions energy: -413.448
where: short stacking energy: -165.924
Base-Backbone interact. energy: -0.292
local terms energy: -205.509479
where:
bonds (distance) C4'-P energy: -40.152
bonds (distance) P-C4' energy: -41.329
flat angles C4'-P-C4' energy: -40.903
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -48.679
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: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -622.872786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.872786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.872786 (E_RNA)
where:
Base-Base interactions energy: -407.660
where: short stacking energy: -157.523
Base-Backbone interact. energy: -0.310
local terms energy: -214.902528
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -45.327
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -56.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -616.072971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.072971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.072971 (E_RNA)
where:
Base-Base interactions energy: -412.103
where: short stacking energy: -192.765
Base-Backbone interact. energy: -0.497
local terms energy: -203.472109
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -46.455
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -65.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -545.859025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.859025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.859025 (E_RNA)
where:
Base-Base interactions energy: -365.475
where: short stacking energy: -160.543
Base-Backbone interact. energy: 1.002
local terms energy: -181.385437
where:
bonds (distance) C4'-P energy: -34.944
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -41.172
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -41.558
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: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -543.588240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.588240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.588240 (E_RNA)
where:
Base-Base interactions energy: -358.083
where: short stacking energy: -165.122
Base-Backbone interact. energy: -0.290
local terms energy: -185.214889
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -43.203
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: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -464.379303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.379303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.379303 (E_RNA)
where:
Base-Base interactions energy: -292.224
where: short stacking energy: -129.425
Base-Backbone interact. energy: -0.257
local terms energy: -171.898104
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -36.480
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -33.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -239.908608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.908608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.908608 (E_RNA)
where:
Base-Base interactions energy: -112.007
where: short stacking energy: -47.381
Base-Backbone interact. energy: 0.839
local terms energy: -128.741065
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -35.165
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -178.681786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.681786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.681786 (E_RNA)
where:
Base-Base interactions energy: -57.890
where: short stacking energy: -51.127
Base-Backbone interact. energy: 0.945
local terms energy: -121.736727
where:
bonds (distance) C4'-P energy: -41.545
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -18.083
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: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -184.063443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.063443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.063443 (E_RNA)
where:
Base-Base interactions energy: -67.482
where: short stacking energy: -53.418
Base-Backbone interact. energy: -0.241
local terms energy: -116.339960
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -676.572131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.572131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.572131 (E_RNA)
where:
Base-Base interactions energy: -457.074
where: short stacking energy: -203.798
Base-Backbone interact. energy: -1.350
local terms energy: -218.147747
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -44.896
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -59.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -629.225005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.225005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.225005 (E_RNA)
where:
Base-Base interactions energy: -414.840
where: short stacking energy: -185.453
Base-Backbone interact. energy: -0.918
local terms energy: -213.466161
where:
bonds (distance) C4'-P energy: -39.607
bonds (distance) P-C4' energy: -44.305
flat angles C4'-P-C4' energy: -38.423
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -60.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -633.275003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.275003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.275003 (E_RNA)
where:
Base-Base interactions energy: -444.443
where: short stacking energy: -168.228
Base-Backbone interact. energy: -0.330
local terms energy: -188.502701
where:
bonds (distance) C4'-P energy: -35.763
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -36.193
flat angles P-C4'-P energy: -23.144
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -603.745179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.745179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.745179 (E_RNA)
where:
Base-Base interactions energy: -396.451
where: short stacking energy: -186.115
Base-Backbone interact. energy: -0.183
local terms energy: -207.111123
where:
bonds (distance) C4'-P energy: -34.723
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -46.837
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: -57.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -569.856689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.856689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.856689 (E_RNA)
where:
Base-Base interactions energy: -374.831
where: short stacking energy: -174.399
Base-Backbone interact. energy: -0.207
local terms energy: -194.817923
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -50.466
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -54.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -494.009986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.009986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.009986 (E_RNA)
where:
Base-Base interactions energy: -309.223
where: short stacking energy: -137.669
Base-Backbone interact. energy: -1.946
local terms energy: -182.840888
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -28.185
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: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -514.892254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.892254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.892254 (E_RNA)
where:
Base-Base interactions energy: -335.854
where: short stacking energy: -159.839
Base-Backbone interact. energy: -1.021
local terms energy: -178.017214
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -46.318
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -44.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -279.893370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.893370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.893370 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -80.215
Base-Backbone interact. energy: -1.029
local terms energy: -139.710719
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -37.929
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -175.082693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.082693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.082693 (E_RNA)
where:
Base-Base interactions energy: -52.943
where: short stacking energy: -53.643
Base-Backbone interact. energy: 0.084
local terms energy: -122.223300
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -184.503941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.503941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.503941 (E_RNA)
where:
Base-Base interactions energy: -67.503
where: short stacking energy: -42.608
Base-Backbone interact. energy: -1.289
local terms energy: -115.712184
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -39.376
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: 2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -677.529824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.529824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.529824 (E_RNA)
where:
Base-Base interactions energy: -466.061
where: short stacking energy: -213.796
Base-Backbone interact. energy: -0.610
local terms energy: -210.858192
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -49.420
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -66.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -630.433196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.433196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.433196 (E_RNA)
where:
Base-Base interactions energy: -420.791
where: short stacking energy: -190.146
Base-Backbone interact. energy: -0.474
local terms energy: -209.168421
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: -61.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -611.245039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.245039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.245039 (E_RNA)
where:
Base-Base interactions energy: -397.868
where: short stacking energy: -182.511
Base-Backbone interact. energy: -0.068
local terms energy: -213.309515
where:
bonds (distance) C4'-P energy: -38.254
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -45.528
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -58.679
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: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -587.370188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.370188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.370188 (E_RNA)
where:
Base-Base interactions energy: -388.389
where: short stacking energy: -152.886
Base-Backbone interact. energy: -0.538
local terms energy: -198.442768
where:
bonds (distance) C4'-P energy: -35.577
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -41.189
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -589.558732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.558732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.558732 (E_RNA)
where:
Base-Base interactions energy: -386.765
where: short stacking energy: -164.891
Base-Backbone interact. energy: -0.669
local terms energy: -202.124674
where:
bonds (distance) C4'-P energy: -36.841
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -39.935
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: -56.613
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: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -530.162475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.162475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.162475 (E_RNA)
where:
Base-Base interactions energy: -364.937
where: short stacking energy: -142.843
Base-Backbone interact. energy: -1.369
local terms energy: -163.856152
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -42.094
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -39.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -533.472010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.472010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.472010 (E_RNA)
where:
Base-Base interactions energy: -362.379
where: short stacking energy: -164.003
Base-Backbone interact. energy: -0.773
local terms energy: -170.319228
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -319.248684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.248684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.248684 (E_RNA)
where:
Base-Base interactions energy: -173.058
where: short stacking energy: -96.261
Base-Backbone interact. energy: -1.300
local terms energy: -144.890465
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -194.707100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.707100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.707100 (E_RNA)
where:
Base-Base interactions energy: -59.071
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.355
local terms energy: -135.280932
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -166.534646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.534646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.534646 (E_RNA)
where:
Base-Base interactions energy: -58.796
where: short stacking energy: -57.118
Base-Backbone interact. energy: -0.033
local terms energy: -107.705534
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: 3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -676.173810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.173810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.173810 (E_RNA)
where:
Base-Base interactions energy: -457.321
where: short stacking energy: -205.976
Base-Backbone interact. energy: 0.171
local terms energy: -219.023872
where:
bonds (distance) C4'-P energy: -40.247
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -45.463
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -63.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -624.666744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.666744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.666744 (E_RNA)
where:
Base-Base interactions energy: -412.897
where: short stacking energy: -185.742
Base-Backbone interact. energy: -0.237
local terms energy: -211.532511
where:
bonds (distance) C4'-P energy: -42.511
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -45.033
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -53.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -619.656354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.656354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.656354 (E_RNA)
where:
Base-Base interactions energy: -416.033
where: short stacking energy: -178.857
Base-Backbone interact. energy: -0.862
local terms energy: -202.761656
where:
bonds (distance) C4'-P energy: -44.550
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -59.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -588.957338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.957338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.957338 (E_RNA)
where:
Base-Base interactions energy: -397.473
where: short stacking energy: -159.062
Base-Backbone interact. energy: -1.649
local terms energy: -189.834723
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -39.167
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -50.831
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: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -555.730168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.730168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.730168 (E_RNA)
where:
Base-Base interactions energy: -366.610
where: short stacking energy: -161.279
Base-Backbone interact. energy: -0.333
local terms energy: -188.787481
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -47.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -494.539752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.539752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.539752 (E_RNA)
where:
Base-Base interactions energy: -321.656
where: short stacking energy: -136.548
Base-Backbone interact. energy: -1.009
local terms energy: -171.874354
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -41.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -517.857775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.857775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.857775 (E_RNA)
where:
Base-Base interactions energy: -348.109
where: short stacking energy: -156.152
Base-Backbone interact. energy: -0.957
local terms energy: -168.791438
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -45.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -326.786956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.786956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.786956 (E_RNA)
where:
Base-Base interactions energy: -193.796
where: short stacking energy: -92.495
Base-Backbone interact. energy: -0.387
local terms energy: -132.603603
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -185.920968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.920968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.920968 (E_RNA)
where:
Base-Base interactions energy: -58.801
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.679
local terms energy: -126.440530
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -165.814788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.814788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.814788 (E_RNA)
where:
Base-Base interactions energy: -59.558
where: short stacking energy: -40.846
Base-Backbone interact. energy: 1.656
local terms energy: -107.912815
where:
bonds (distance) C4'-P energy: -27.122
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -0.271
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: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -679.747122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.747122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.747122 (E_RNA)
where:
Base-Base interactions energy: -456.550
where: short stacking energy: -218.485
Base-Backbone interact. energy: -0.980
local terms energy: -222.216602
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -42.672
flat angles C4'-P-C4' energy: -47.202
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -68.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -625.394107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.394107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.394107 (E_RNA)
where:
Base-Base interactions energy: -421.119
where: short stacking energy: -175.317
Base-Backbone interact. energy: -0.397
local terms energy: -203.878720
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -41.584
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: -59.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -620.991535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.991535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.991535 (E_RNA)
where:
Base-Base interactions energy: -400.214
where: short stacking energy: -171.830
Base-Backbone interact. energy: -0.339
local terms energy: -220.438394
where:
bonds (distance) C4'-P energy: -40.645
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -45.139
flat angles P-C4'-P energy: -35.622
tors. eta vs tors. theta energy: -54.884
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: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -597.546211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.546211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.546211 (E_RNA)
where:
Base-Base interactions energy: -386.473
where: short stacking energy: -191.769
Base-Backbone interact. energy: 1.430
local terms energy: -212.503462
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -35.727
flat angles C4'-P-C4' energy: -46.619
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -60.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -548.729737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.729737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.729737 (E_RNA)
where:
Base-Base interactions energy: -367.449
where: short stacking energy: -149.086
Base-Backbone interact. energy: 1.023
local terms energy: -182.303642
where:
bonds (distance) C4'-P energy: -35.460
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -40.476
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -43.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -530.625143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.625143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.625143 (E_RNA)
where:
Base-Base interactions energy: -343.131
where: short stacking energy: -157.171
Base-Backbone interact. energy: -0.413
local terms energy: -187.080963
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -39.366
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -45.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -515.218119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.218119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.218119 (E_RNA)
where:
Base-Base interactions energy: -345.192
where: short stacking energy: -144.271
Base-Backbone interact. energy: -1.343
local terms energy: -168.683471
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -34.609
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: -43.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -304.038674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.038674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.038674 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -85.774
Base-Backbone interact. energy: 2.349
local terms energy: -137.120254
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -41.466
flat angles C4'-P-C4' energy: -34.181
flat angles P-C4'-P energy: -12.593
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: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -180.738121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.738121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.738121 (E_RNA)
where:
Base-Base interactions energy: -65.126
where: short stacking energy: -64.485
Base-Backbone interact. energy: -1.813
local terms energy: -113.798532
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -38.696
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -165.746578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.746578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.746578 (E_RNA)
where:
Base-Base interactions energy: -68.812
where: short stacking energy: -54.006
Base-Backbone interact. energy: 2.696
local terms energy: -99.630574
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: 9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -667.175875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.175875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.175875 (E_RNA)
where:
Base-Base interactions energy: -443.801
where: short stacking energy: -201.605
Base-Backbone interact. energy: 0.263
local terms energy: -223.638010
where:
bonds (distance) C4'-P energy: -41.697
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -68.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -617.059304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.059304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.059304 (E_RNA)
where:
Base-Base interactions energy: -402.469
where: short stacking energy: -184.223
Base-Backbone interact. energy: -0.396
local terms energy: -214.193778
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -38.447
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -60.469
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: 337
Temperature: 1.000000
Total energy: -612.450933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.450933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.450933 (E_RNA)
where:
Base-Base interactions energy: -403.342
where: short stacking energy: -179.787
Base-Backbone interact. energy: -0.021
local terms energy: -209.088197
where:
bonds (distance) C4'-P energy: -37.701
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -28.342
tors. eta vs tors. theta energy: -57.412
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: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -608.047671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.047671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.047671 (E_RNA)
where:
Base-Base interactions energy: -412.035
where: short stacking energy: -177.447
Base-Backbone interact. energy: -1.653
local terms energy: -194.359187
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -56.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -573.315633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.315633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.315633 (E_RNA)
where:
Base-Base interactions energy: -373.817
where: short stacking energy: -171.895
Base-Backbone interact. energy: -0.385
local terms energy: -199.112914
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -41.152
flat angles C4'-P-C4' energy: -37.294
flat angles P-C4'-P energy: -33.662
tors. eta vs tors. theta energy: -50.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -522.915611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.915611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.915611 (E_RNA)
where:
Base-Base interactions energy: -357.021
where: short stacking energy: -159.476
Base-Backbone interact. energy: 2.582
local terms energy: -168.475752
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -37.866
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -47.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -496.536493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.536493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.536493 (E_RNA)
where:
Base-Base interactions energy: -332.755
where: short stacking energy: -136.948
Base-Backbone interact. energy: 0.104
local terms energy: -163.885212
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -35.820
flat angles C4'-P-C4' energy: -37.090
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -35.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -296.160092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.160092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.160092 (E_RNA)
where:
Base-Base interactions energy: -159.197
where: short stacking energy: -100.712
Base-Backbone interact. energy: 0.791
local terms energy: -137.753665
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -32.422
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -177.210925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.210925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.210925 (E_RNA)
where:
Base-Base interactions energy: -76.715
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.681
local terms energy: -99.814959
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -16.139
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: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -162.772373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.772373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.772373 (E_RNA)
where:
Base-Base interactions energy: -47.406
where: short stacking energy: -46.548
Base-Backbone interact. energy: -0.653
local terms energy: -114.714123
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -13.156
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: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -673.433714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.433714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.433714 (E_RNA)
where:
Base-Base interactions energy: -452.436
where: short stacking energy: -211.740
Base-Backbone interact. energy: 0.525
local terms energy: -221.522614
where:
bonds (distance) C4'-P energy: -39.103
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -69.196
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -614.141369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.141369 (E_RNA)
where:
Base-Base interactions energy: -420.302
where: short stacking energy: -177.630
Base-Backbone interact. energy: -0.508
local terms energy: -193.331293
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -36.402
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -51.797
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: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -608.495287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.495287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.495287 (E_RNA)
where:
Base-Base interactions energy: -409.423
where: short stacking energy: -183.674
Base-Backbone interact. energy: 0.605
local terms energy: -199.677325
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -41.679
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -55.633
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: 338
Temperature: 1.050000
Total energy: -589.967318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.967318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.967318 (E_RNA)
where:
Base-Base interactions energy: -394.590
where: short stacking energy: -180.490
Base-Backbone interact. energy: -0.321
local terms energy: -195.055874
where:
bonds (distance) C4'-P energy: -33.609
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -52.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -507.423646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.423646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.423646 (E_RNA)
where:
Base-Base interactions energy: -326.417
where: short stacking energy: -150.118
Base-Backbone interact. energy: -0.889
local terms energy: -180.117426
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -40.143
flat angles P-C4'-P energy: -27.198
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: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -557.625637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.625637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.625637 (E_RNA)
where:
Base-Base interactions energy: -375.132
where: short stacking energy: -167.177
Base-Backbone interact. energy: -0.659
local terms energy: -181.834408
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -41.063
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -47.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -510.214378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.214378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.214378 (E_RNA)
where:
Base-Base interactions energy: -333.787
where: short stacking energy: -149.469
Base-Backbone interact. energy: -0.537
local terms energy: -175.890032
where:
bonds (distance) C4'-P energy: -32.031
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -30.009
tors. eta vs tors. theta energy: -41.098
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: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -315.264351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.264351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.264351 (E_RNA)
where:
Base-Base interactions energy: -177.689
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.736
local terms energy: -136.838921
where:
bonds (distance) C4'-P energy: -33.861
bonds (distance) P-C4' energy: -40.262
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -5.023
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: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -175.674010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.674010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.674010 (E_RNA)
where:
Base-Base interactions energy: -70.131
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.579
local terms energy: -104.964386
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -169.641640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.641640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.641640 (E_RNA)
where:
Base-Base interactions energy: -62.019
where: short stacking energy: -56.282
Base-Backbone interact. energy: 1.592
local terms energy: -109.213871
where:
bonds (distance) C4'-P energy: -28.678
bonds (distance) P-C4' energy: -26.691
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -665.698954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.698954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.698954 (E_RNA)
where:
Base-Base interactions energy: -446.218
where: short stacking energy: -199.674
Base-Backbone interact. energy: -0.102
local terms energy: -219.379530
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -47.927
flat angles C4'-P-C4' energy: -45.336
flat angles P-C4'-P energy: -26.096
tors. eta vs tors. theta energy: -61.852
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: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -645.195721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.195721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.195721 (E_RNA)
where:
Base-Base interactions energy: -415.572
where: short stacking energy: -187.607
Base-Backbone interact. energy: -0.923
local terms energy: -228.700678
where:
bonds (distance) C4'-P energy: -42.080
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -45.971
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -66.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -620.113479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.113479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.113479 (E_RNA)
where:
Base-Base interactions energy: -429.827
where: short stacking energy: -185.146
Base-Backbone interact. energy: -0.186
local terms energy: -190.100756
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -38.046
flat angles C4'-P-C4' energy: -42.908
flat angles P-C4'-P energy: -30.647
tors. eta vs tors. theta energy: -48.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -610.291915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.291915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.291915 (E_RNA)
where:
Base-Base interactions energy: -405.245
where: short stacking energy: -179.844
Base-Backbone interact. energy: -1.361
local terms energy: -203.686049
where:
bonds (distance) C4'-P energy: -35.460
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -44.572
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: -63.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -491.877407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.877407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.877407 (E_RNA)
where:
Base-Base interactions energy: -317.199
where: short stacking energy: -131.235
Base-Backbone interact. energy: -0.658
local terms energy: -174.020314
where:
bonds (distance) C4'-P energy: -36.435
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -36.985
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -36.985
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: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -554.107443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.107443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.107443 (E_RNA)
where:
Base-Base interactions energy: -368.371
where: short stacking energy: -160.212
Base-Backbone interact. energy: -1.092
local terms energy: -184.644323
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -39.245
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -50.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -474.613346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.613346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.613346 (E_RNA)
where:
Base-Base interactions energy: -315.684
where: short stacking energy: -139.464
Base-Backbone interact. energy: 0.776
local terms energy: -159.705092
where:
bonds (distance) C4'-P energy: -38.992
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -39.532
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: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -342.231107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.231107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.231107 (E_RNA)
where:
Base-Base interactions energy: -214.611
where: short stacking energy: -88.673
Base-Backbone interact. energy: -0.765
local terms energy: -126.855248
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -176.870157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.870157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.870157 (E_RNA)
where:
Base-Base interactions energy: -68.472
where: short stacking energy: -47.001
Base-Backbone interact. energy: -1.945
local terms energy: -106.453777
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: 5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -180.601608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.601608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.601608 (E_RNA)
where:
Base-Base interactions energy: -46.705
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.640
local terms energy: -133.256767
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: 1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -657.388224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.388224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.388224 (E_RNA)
where:
Base-Base interactions energy: -434.897
where: short stacking energy: -194.908
Base-Backbone interact. energy: -0.024
local terms energy: -222.467256
where:
bonds (distance) C4'-P energy: -40.114
bonds (distance) P-C4' energy: -46.191
flat angles C4'-P-C4' energy: -41.926
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -68.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -667.090433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.090433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.090433 (E_RNA)
where:
Base-Base interactions energy: -452.292
where: short stacking energy: -207.322
Base-Backbone interact. energy: -0.012
local terms energy: -214.786995
where:
bonds (distance) C4'-P energy: -42.178
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -44.694
flat angles P-C4'-P energy: -27.362
tors. eta vs tors. theta energy: -59.211
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: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -607.988328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.988328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.988328 (E_RNA)
where:
Base-Base interactions energy: -410.280
where: short stacking energy: -180.296
Base-Backbone interact. energy: 0.051
local terms energy: -197.758971
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -35.659
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -26.175
tors. eta vs tors. theta energy: -51.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -615.761255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.761255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.761255 (E_RNA)
where:
Base-Base interactions energy: -417.758
where: short stacking energy: -176.964
Base-Backbone interact. energy: -0.940
local terms energy: -197.062724
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -36.510
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -58.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -560.611582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.611582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.611582 (E_RNA)
where:
Base-Base interactions energy: -373.943
where: short stacking energy: -168.170
Base-Backbone interact. energy: -0.953
local terms energy: -185.715078
where:
bonds (distance) C4'-P energy: -43.765
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -41.775
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -50.861
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: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -511.233561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.233561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.233561 (E_RNA)
where:
Base-Base interactions energy: -331.314
where: short stacking energy: -147.515
Base-Backbone interact. energy: -0.349
local terms energy: -179.570192
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: -45.023
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: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -484.250811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.250811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.250811 (E_RNA)
where:
Base-Base interactions energy: -330.695
where: short stacking energy: -150.242
Base-Backbone interact. energy: -0.709
local terms energy: -152.846904
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -42.581
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -357.676640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.676640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.676640 (E_RNA)
where:
Base-Base interactions energy: -212.849
where: short stacking energy: -90.626
Base-Backbone interact. energy: -1.928
local terms energy: -142.900216
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -41.539
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -171.755921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.755921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.755921 (E_RNA)
where:
Base-Base interactions energy: -58.325
where: short stacking energy: -52.711
Base-Backbone interact. energy: -2.142
local terms energy: -111.289265
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: 3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -164.389970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.389970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.389970 (E_RNA)
where:
Base-Base interactions energy: -50.042
where: short stacking energy: -48.650
Base-Backbone interact. energy: -0.476
local terms energy: -113.872228
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -671.813220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.813220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.813220 (E_RNA)
where:
Base-Base interactions energy: -458.105
where: short stacking energy: -206.515
Base-Backbone interact. energy: -0.326
local terms energy: -213.381965
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -35.119
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -64.646
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: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -671.345035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.345035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.345035 (E_RNA)
where:
Base-Base interactions energy: -466.561
where: short stacking energy: -201.773
Base-Backbone interact. energy: -0.630
local terms energy: -204.153599
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -46.635
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -58.416
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: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -620.120742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.120742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.120742 (E_RNA)
where:
Base-Base interactions energy: -408.637
where: short stacking energy: -169.884
Base-Backbone interact. energy: -1.239
local terms energy: -210.244991
where:
bonds (distance) C4'-P energy: -41.714
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -44.771
flat angles P-C4'-P energy: -26.875
tors. eta vs tors. theta energy: -59.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -611.126474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.126474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.126474 (E_RNA)
where:
Base-Base interactions energy: -416.650
where: short stacking energy: -184.392
Base-Backbone interact. energy: -0.349
local terms energy: -194.127037
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -43.627
flat angles P-C4'-P energy: -33.398
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: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -590.118111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.118111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.118111 (E_RNA)
where:
Base-Base interactions energy: -392.743
where: short stacking energy: -190.119
Base-Backbone interact. energy: -0.171
local terms energy: -197.203990
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -30.766
tors. eta vs tors. theta energy: -57.401
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: 341
Temperature: 1.150000
Total energy: -500.747991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.747991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.747991 (E_RNA)
where:
Base-Base interactions energy: -325.726
where: short stacking energy: -146.577
Base-Backbone interact. energy: -0.979
local terms energy: -174.042758
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -43.498
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -47.515
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: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -472.593582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.593582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.593582 (E_RNA)
where:
Base-Base interactions energy: -310.271
where: short stacking energy: -139.108
Base-Backbone interact. energy: 1.496
local terms energy: -163.818685
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -40.595
flat angles C4'-P-C4' energy: -38.823
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -32.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -303.880388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.880388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.880388 (E_RNA)
where:
Base-Base interactions energy: -157.541
where: short stacking energy: -73.468
Base-Backbone interact. energy: -0.637
local terms energy: -145.703249
where:
bonds (distance) C4'-P energy: -43.568
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -36.332
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -189.575205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.575205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.575205 (E_RNA)
where:
Base-Base interactions energy: -69.063
where: short stacking energy: -52.634
Base-Backbone interact. energy: 0.538
local terms energy: -121.050548
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: 3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -174.368598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.368598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.368598 (E_RNA)
where:
Base-Base interactions energy: -64.989
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.414
local terms energy: -108.965785
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: 3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -677.316351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.316351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.316351 (E_RNA)
where:
Base-Base interactions energy: -447.390
where: short stacking energy: -208.914
Base-Backbone interact. energy: -2.242
local terms energy: -227.684837
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -33.008
tors. eta vs tors. theta energy: -69.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -650.461072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.461072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.461072 (E_RNA)
where:
Base-Base interactions energy: -445.843
where: short stacking energy: -189.798
Base-Backbone interact. energy: -0.788
local terms energy: -203.830427
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -41.622
flat angles C4'-P-C4' energy: -40.890
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -63.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -595.416749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.416749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.416749 (E_RNA)
where:
Base-Base interactions energy: -393.606
where: short stacking energy: -160.404
Base-Backbone interact. energy: -0.760
local terms energy: -201.051213
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -39.907
flat angles C4'-P-C4' energy: -41.860
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -42.555
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: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -613.891604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.891604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.891604 (E_RNA)
where:
Base-Base interactions energy: -410.594
where: short stacking energy: -184.111
Base-Backbone interact. energy: -1.129
local terms energy: -202.168659
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -36.635
flat angles C4'-P-C4' energy: -43.410
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -61.411
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: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -560.445367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.445367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.445367 (E_RNA)
where:
Base-Base interactions energy: -360.986
where: short stacking energy: -162.847
Base-Backbone interact. energy: -0.798
local terms energy: -198.661498
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -33.116
tors. eta vs tors. theta energy: -46.050
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: 342
Temperature: 1.150000
Total energy: -515.962077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.962077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.962077 (E_RNA)
where:
Base-Base interactions energy: -334.846
where: short stacking energy: -145.001
Base-Backbone interact. energy: -0.460
local terms energy: -180.655932
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -41.768
flat angles C4'-P-C4' energy: -39.764
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -41.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -499.413938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.413938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.413938 (E_RNA)
where:
Base-Base interactions energy: -321.614
where: short stacking energy: -126.259
Base-Backbone interact. energy: -0.495
local terms energy: -177.304428
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -39.931
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -44.114
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: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -276.114642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.114642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.114642 (E_RNA)
where:
Base-Base interactions energy: -153.664
where: short stacking energy: -71.578
Base-Backbone interact. energy: 0.494
local terms energy: -122.944875
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -42.052
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -28.969
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -172.300887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.300887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.300887 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.810
local terms energy: -110.247498
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: 11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -191.646379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.646379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.646379 (E_RNA)
where:
Base-Base interactions energy: -68.261
where: short stacking energy: -56.749
Base-Backbone interact. energy: 1.039
local terms energy: -124.423678
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -38.949
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -669.185630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.185630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.185630 (E_RNA)
where:
Base-Base interactions energy: -439.568
where: short stacking energy: -208.283
Base-Backbone interact. energy: -0.944
local terms energy: -228.673310
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -46.973
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -69.554
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: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -653.935882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.935882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.935882 (E_RNA)
where:
Base-Base interactions energy: -449.467
where: short stacking energy: -203.298
Base-Backbone interact. energy: 0.056
local terms energy: -204.525084
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -26.103
tors. eta vs tors. theta energy: -61.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -608.820573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.820573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.820573 (E_RNA)
where:
Base-Base interactions energy: -405.113
where: short stacking energy: -167.106
Base-Backbone interact. energy: 0.445
local terms energy: -204.152228
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -36.708
flat angles C4'-P-C4' energy: -42.606
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -51.309
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -596.351290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.351290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.351290 (E_RNA)
where:
Base-Base interactions energy: -399.398
where: short stacking energy: -169.695
Base-Backbone interact. energy: -1.923
local terms energy: -195.030319
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -39.763
flat angles C4'-P-C4' energy: -41.784
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -54.003
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: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -574.277915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.277915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.277915 (E_RNA)
where:
Base-Base interactions energy: -379.111
where: short stacking energy: -172.664
Base-Backbone interact. energy: -0.297
local terms energy: -194.869799
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -46.234
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -53.834
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: 343
Temperature: 1.150000
Total energy: -552.789855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.789855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.789855 (E_RNA)
where:
Base-Base interactions energy: -359.168
where: short stacking energy: -165.312
Base-Backbone interact. energy: -0.049
local terms energy: -193.572578
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -40.138
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -46.178
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: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -467.645431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.645431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.645431 (E_RNA)
where:
Base-Base interactions energy: -301.693
where: short stacking energy: -119.580
Base-Backbone interact. energy: -0.481
local terms energy: -165.472012
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -40.328
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -35.184
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -297.253668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.253668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.253668 (E_RNA)
where:
Base-Base interactions energy: -169.338
where: short stacking energy: -93.148
Base-Backbone interact. energy: -0.534
local terms energy: -127.381666
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -215.734094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.734094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.734094 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.591
local terms energy: -126.181852
where:
bonds (distance) C4'-P energy: -37.374
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -178.359901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.359901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.359901 (E_RNA)
where:
Base-Base interactions energy: -56.184
where: short stacking energy: -48.604
Base-Backbone interact. energy: -0.383
local terms energy: -121.792830
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -15.202
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -677.106788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.106788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.106788 (E_RNA)
where:
Base-Base interactions energy: -459.829
where: short stacking energy: -211.879
Base-Backbone interact. energy: -1.295
local terms energy: -215.982426
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -33.405
tors. eta vs tors. theta energy: -68.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -639.140095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.140095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.140095 (E_RNA)
where:
Base-Base interactions energy: -428.335
where: short stacking energy: -196.926
Base-Backbone interact. energy: -0.122
local terms energy: -210.683407
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -40.640
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -34.859
tors. eta vs tors. theta energy: -61.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -604.670220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.670220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.670220 (E_RNA)
where:
Base-Base interactions energy: -419.375
where: short stacking energy: -166.575
Base-Backbone interact. energy: 0.818
local terms energy: -186.113085
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -29.687
flat angles C4'-P-C4' energy: -44.417
flat angles P-C4'-P energy: -28.330
tors. eta vs tors. theta energy: -51.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -597.008415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.008415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.008415 (E_RNA)
where:
Base-Base interactions energy: -403.477
where: short stacking energy: -168.916
Base-Backbone interact. energy: -1.527
local terms energy: -192.004600
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -57.104
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: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -564.380243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.380243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.380243 (E_RNA)
where:
Base-Base interactions energy: -374.899
where: short stacking energy: -179.600
Base-Backbone interact. energy: -0.305
local terms energy: -189.175748
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -45.072
flat angles P-C4'-P energy: -22.150
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -536.095451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.095451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.095451 (E_RNA)
where:
Base-Base interactions energy: -360.850
where: short stacking energy: -165.268
Base-Backbone interact. energy: -0.711
local terms energy: -174.533834
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -35.902
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -49.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -489.178710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.178710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.178710 (E_RNA)
where:
Base-Base interactions energy: -321.287
where: short stacking energy: -120.670
Base-Backbone interact. energy: 2.097
local terms energy: -169.987960
where:
bonds (distance) C4'-P energy: -37.613
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -37.317
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: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -316.116537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.116537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.116537 (E_RNA)
where:
Base-Base interactions energy: -182.572
where: short stacking energy: -85.343
Base-Backbone interact. energy: 0.611
local terms energy: -134.154799
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -30.513
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -14.226
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: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -183.903818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.903818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.903818 (E_RNA)
where:
Base-Base interactions energy: -67.659
where: short stacking energy: -52.518
Base-Backbone interact. energy: -0.057
local terms energy: -116.188163
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: 8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -186.868052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.868052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.868052 (E_RNA)
where:
Base-Base interactions energy: -69.472
where: short stacking energy: -50.361
Base-Backbone interact. energy: -0.994
local terms energy: -116.402439
where:
bonds (distance) C4'-P energy: -33.330
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: 4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -676.449637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.449637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.449637 (E_RNA)
where:
Base-Base interactions energy: -451.439
where: short stacking energy: -195.111
Base-Backbone interact. energy: -0.999
local terms energy: -224.011465
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -47.767
flat angles P-C4'-P energy: -27.086
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -622.316649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.316649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.316649 (E_RNA)
where:
Base-Base interactions energy: -406.748
where: short stacking energy: -175.632
Base-Backbone interact. energy: -0.994
local terms energy: -214.574091
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -40.470
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -55.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -642.972186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.972186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.972186 (E_RNA)
where:
Base-Base interactions energy: -425.651
where: short stacking energy: -191.883
Base-Backbone interact. energy: -0.610
local terms energy: -216.711380
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -40.961
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -63.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -607.907621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.907621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.907621 (E_RNA)
where:
Base-Base interactions energy: -404.610
where: short stacking energy: -174.252
Base-Backbone interact. energy: -0.277
local terms energy: -203.019810
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -42.634
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -59.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -551.117221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.117221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.117221 (E_RNA)
where:
Base-Base interactions energy: -361.851
where: short stacking energy: -152.549
Base-Backbone interact. energy: -1.559
local terms energy: -187.706822
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -514.153411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.153411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.153411 (E_RNA)
where:
Base-Base interactions energy: -344.758
where: short stacking energy: -130.877
Base-Backbone interact. energy: -0.382
local terms energy: -169.012488
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -45.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -503.100287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.100287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.100287 (E_RNA)
where:
Base-Base interactions energy: -320.453
where: short stacking energy: -152.755
Base-Backbone interact. energy: 0.107
local terms energy: -182.754421
where:
bonds (distance) C4'-P energy: -32.363
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: -44.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -301.299864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.299864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.299864 (E_RNA)
where:
Base-Base interactions energy: -160.540
where: short stacking energy: -86.790
Base-Backbone interact. energy: 0.418
local terms energy: -141.177182
where:
bonds (distance) C4'-P energy: -34.307
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -180.821803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.821803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.821803 (E_RNA)
where:
Base-Base interactions energy: -59.973
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.729
local terms energy: -120.120587
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -43.683
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: 10.426
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: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -170.560479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.560479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.560479 (E_RNA)
where:
Base-Base interactions energy: -55.201
where: short stacking energy: -41.167
Base-Backbone interact. energy: -1.305
local terms energy: -114.054312
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -40.546
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: 6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -660.808269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.808269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.808269 (E_RNA)
where:
Base-Base interactions energy: -444.847
where: short stacking energy: -206.846
Base-Backbone interact. energy: -0.554
local terms energy: -215.406434
where:
bonds (distance) C4'-P energy: -41.367
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -62.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -606.913901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.913901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.913901 (E_RNA)
where:
Base-Base interactions energy: -421.551
where: short stacking energy: -177.811
Base-Backbone interact. energy: -0.939
local terms energy: -184.423560
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -42.630
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -55.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -637.787489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.787489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.787489 (E_RNA)
where:
Base-Base interactions energy: -434.137
where: short stacking energy: -190.618
Base-Backbone interact. energy: -0.574
local terms energy: -203.076871
where:
bonds (distance) C4'-P energy: -33.284
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -43.691
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -62.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -607.107431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.107431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.107431 (E_RNA)
where:
Base-Base interactions energy: -395.980
where: short stacking energy: -170.259
Base-Backbone interact. energy: -0.271
local terms energy: -210.856398
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -38.124
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -61.227
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: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -523.912093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.912093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.912093 (E_RNA)
where:
Base-Base interactions energy: -352.212
where: short stacking energy: -147.862
Base-Backbone interact. energy: 0.161
local terms energy: -171.861233
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -45.229
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: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -548.018637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.018637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.018637 (E_RNA)
where:
Base-Base interactions energy: -362.522
where: short stacking energy: -160.968
Base-Backbone interact. energy: -0.743
local terms energy: -184.753247
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -25.719
tors. eta vs tors. theta energy: -46.748
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -530.811684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.811684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.811684 (E_RNA)
where:
Base-Base interactions energy: -363.570
where: short stacking energy: -161.463
Base-Backbone interact. energy: -0.362
local terms energy: -166.879641
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -41.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -294.662042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.662042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.662042 (E_RNA)
where:
Base-Base interactions energy: -152.799
where: short stacking energy: -80.961
Base-Backbone interact. energy: -1.332
local terms energy: -140.531207
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -38.685
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -192.840026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.840026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.840026 (E_RNA)
where:
Base-Base interactions energy: -75.397
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.424
local terms energy: -117.018819
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -182.431487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.431487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.431487 (E_RNA)
where:
Base-Base interactions energy: -69.294
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.775
local terms energy: -112.363126
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -19.536
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -663.239371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.239371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.239371 (E_RNA)
where:
Base-Base interactions energy: -442.297
where: short stacking energy: -200.127
Base-Backbone interact. energy: -0.762
local terms energy: -220.179968
where:
bonds (distance) C4'-P energy: -47.172
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -61.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -648.410211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.410211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.410211 (E_RNA)
where:
Base-Base interactions energy: -427.450
where: short stacking energy: -197.566
Base-Backbone interact. energy: -1.195
local terms energy: -219.765776
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -45.829
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -59.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -603.204258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.204258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.204258 (E_RNA)
where:
Base-Base interactions energy: -402.779
where: short stacking energy: -174.320
Base-Backbone interact. energy: -0.185
local terms energy: -200.240678
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -41.310
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -596.652301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.652301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.652301 (E_RNA)
where:
Base-Base interactions energy: -398.398
where: short stacking energy: -162.715
Base-Backbone interact. energy: -0.748
local terms energy: -197.507078
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -38.366
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -56.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -563.480073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.480073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.480073 (E_RNA)
where:
Base-Base interactions energy: -381.555
where: short stacking energy: -152.936
Base-Backbone interact. energy: -1.716
local terms energy: -180.209299
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -39.411
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -50.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -541.969895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.969895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.969895 (E_RNA)
where:
Base-Base interactions energy: -363.966
where: short stacking energy: -170.132
Base-Backbone interact. energy: -0.463
local terms energy: -177.540736
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -51.020
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: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -543.531143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.531143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.531143 (E_RNA)
where:
Base-Base interactions energy: -356.476
where: short stacking energy: -159.413
Base-Backbone interact. energy: -0.633
local terms energy: -186.421894
where:
bonds (distance) C4'-P energy: -35.774
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -39.287
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -296.330650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.330650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.330650 (E_RNA)
where:
Base-Base interactions energy: -169.278
where: short stacking energy: -87.558
Base-Backbone interact. energy: 0.016
local terms energy: -127.068816
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -182.663132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.663132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.663132 (E_RNA)
where:
Base-Base interactions energy: -63.808
where: short stacking energy: -42.206
Base-Backbone interact. energy: -1.751
local terms energy: -117.104228
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: 2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -190.635031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.635031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.635031 (E_RNA)
where:
Base-Base interactions energy: -90.015
where: short stacking energy: -55.341
Base-Backbone interact. energy: 1.562
local terms energy: -102.181671
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: 7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -658.498339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.498339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.498339 (E_RNA)
where:
Base-Base interactions energy: -439.253
where: short stacking energy: -206.220
Base-Backbone interact. energy: -0.267
local terms energy: -218.978243
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -44.386
flat angles C4'-P-C4' energy: -42.168
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -63.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -647.806906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.806906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.806906 (E_RNA)
where:
Base-Base interactions energy: -431.292
where: short stacking energy: -201.239
Base-Backbone interact. energy: -1.567
local terms energy: -214.948612
where:
bonds (distance) C4'-P energy: -40.887
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -44.199
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -59.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -603.908026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.908026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.908026 (E_RNA)
where:
Base-Base interactions energy: -403.808
where: short stacking energy: -166.502
Base-Backbone interact. energy: 0.590
local terms energy: -200.690454
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -44.819
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -50.355
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: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -596.751426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.751426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.751426 (E_RNA)
where:
Base-Base interactions energy: -395.343
where: short stacking energy: -165.802
Base-Backbone interact. energy: -0.198
local terms energy: -201.210515
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -44.193
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -54.781
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: 348
Temperature: 1.100000
Total energy: -541.829691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.829691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.829691 (E_RNA)
where:
Base-Base interactions energy: -364.647
where: short stacking energy: -158.489
Base-Backbone interact. energy: -0.274
local terms energy: -176.908008
where:
bonds (distance) C4'-P energy: -32.148
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -44.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -554.081379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.081379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.081379 (E_RNA)
where:
Base-Base interactions energy: -369.021
where: short stacking energy: -161.047
Base-Backbone interact. energy: -0.112
local terms energy: -184.948497
where:
bonds (distance) C4'-P energy: -41.015
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -51.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -540.450960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.450960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.450960 (E_RNA)
where:
Base-Base interactions energy: -362.863
where: short stacking energy: -172.077
Base-Backbone interact. energy: -1.486
local terms energy: -176.102245
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -39.887
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -51.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -310.073520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.073520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.073520 (E_RNA)
where:
Base-Base interactions energy: -178.736
where: short stacking energy: -92.349
Base-Backbone interact. energy: -0.475
local terms energy: -130.862025
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -36.023
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -13.271
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: 348
Temperature: 1.300000
Total energy: -204.232048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.232048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.232048 (E_RNA)
where:
Base-Base interactions energy: -98.021
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.897
local terms energy: -105.314880
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -177.081427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.081427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.081427 (E_RNA)
where:
Base-Base interactions energy: -71.383
where: short stacking energy: -59.896
Base-Backbone interact. energy: 0.471
local terms energy: -106.168870
where:
bonds (distance) C4'-P energy: -35.264
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -20.092
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: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -658.386988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.386988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.386988 (E_RNA)
where:
Base-Base interactions energy: -431.060
where: short stacking energy: -198.110
Base-Backbone interact. energy: -0.015
local terms energy: -227.311669
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -43.875
flat angles C4'-P-C4' energy: -42.772
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -64.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -647.543721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.543721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.543721 (E_RNA)
where:
Base-Base interactions energy: -433.559
where: short stacking energy: -189.177
Base-Backbone interact. energy: -0.908
local terms energy: -213.077022
where:
bonds (distance) C4'-P energy: -40.183
bonds (distance) P-C4' energy: -40.595
flat angles C4'-P-C4' energy: -42.809
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -61.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -590.095302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.095302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.095302 (E_RNA)
where:
Base-Base interactions energy: -391.604
where: short stacking energy: -178.217
Base-Backbone interact. energy: -0.514
local terms energy: -197.977720
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -45.846
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -49.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -595.226924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.226924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.226924 (E_RNA)
where:
Base-Base interactions energy: -401.183
where: short stacking energy: -172.622
Base-Backbone interact. energy: 1.071
local terms energy: -195.114396
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -38.850
flat angles P-C4'-P energy: -32.930
tors. eta vs tors. theta energy: -57.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -543.817310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.817310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.817310 (E_RNA)
where:
Base-Base interactions energy: -364.700
where: short stacking energy: -148.595
Base-Backbone interact. energy: 0.204
local terms energy: -179.320775
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -16.630
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: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -545.259664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.259664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.259664 (E_RNA)
where:
Base-Base interactions energy: -365.087
where: short stacking energy: -147.712
Base-Backbone interact. energy: 0.641
local terms energy: -180.813901
where:
bonds (distance) C4'-P energy: -40.633
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: -43.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -544.947047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.947047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.947047 (E_RNA)
where:
Base-Base interactions energy: -355.865
where: short stacking energy: -154.851
Base-Backbone interact. energy: -0.297
local terms energy: -188.784605
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -39.523
flat angles P-C4'-P energy: -27.696
tors. eta vs tors. theta energy: -50.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -287.197522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.197522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.197522 (E_RNA)
where:
Base-Base interactions energy: -157.448
where: short stacking energy: -84.017
Base-Backbone interact. energy: 0.274
local terms energy: -130.023616
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -39.535
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -19.599
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -176.413800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.413800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.413800 (E_RNA)
where:
Base-Base interactions energy: -51.997
where: short stacking energy: -48.886
Base-Backbone interact. energy: -1.999
local terms energy: -122.418371
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -166.214651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.214651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.214651 (E_RNA)
where:
Base-Base interactions energy: -66.729
where: short stacking energy: -52.865
Base-Backbone interact. energy: -1.923
local terms energy: -97.562422
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: 8.137
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: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -666.911679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.911679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.911679 (E_RNA)
where:
Base-Base interactions energy: -450.796
where: short stacking energy: -212.999
Base-Backbone interact. energy: -0.166
local terms energy: -215.950130
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -43.330
flat angles C4'-P-C4' energy: -40.951
flat angles P-C4'-P energy: -32.816
tors. eta vs tors. theta energy: -62.074
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: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -648.386691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.386691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.386691 (E_RNA)
where:
Base-Base interactions energy: -429.507
where: short stacking energy: -201.124
Base-Backbone interact. energy: -0.083
local terms energy: -218.796722
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -34.799
flat angles C4'-P-C4' energy: -49.004
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -65.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -618.146666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.146666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.146666 (E_RNA)
where:
Base-Base interactions energy: -408.996
where: short stacking energy: -174.208
Base-Backbone interact. energy: -0.226
local terms energy: -208.924251
where:
bonds (distance) C4'-P energy: -42.012
bonds (distance) P-C4' energy: -37.648
flat angles C4'-P-C4' energy: -42.233
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -60.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -570.333430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.333430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.333430 (E_RNA)
where:
Base-Base interactions energy: -383.620
where: short stacking energy: -160.125
Base-Backbone interact. energy: -0.142
local terms energy: -186.571539
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -39.204
flat angles C4'-P-C4' energy: -41.203
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -49.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -554.532602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.532602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.532602 (E_RNA)
where:
Base-Base interactions energy: -374.368
where: short stacking energy: -153.127
Base-Backbone interact. energy: -1.653
local terms energy: -178.511269
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -35.639
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -52.744
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: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -515.626981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.626981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.626981 (E_RNA)
where:
Base-Base interactions energy: -341.953
where: short stacking energy: -141.940
Base-Backbone interact. energy: 2.254
local terms energy: -175.928020
where:
bonds (distance) C4'-P energy: -38.816
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -38.543
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -542.898552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.898552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.898552 (E_RNA)
where:
Base-Base interactions energy: -360.860
where: short stacking energy: -159.693
Base-Backbone interact. energy: -0.266
local terms energy: -181.772362
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -47.656
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: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -290.212246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.212246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.212246 (E_RNA)
where:
Base-Base interactions energy: -150.952
where: short stacking energy: -75.894
Base-Backbone interact. energy: 0.012
local terms energy: -139.272331
where:
bonds (distance) C4'-P energy: -36.210
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -13.069
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: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -187.539899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.539899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.539899 (E_RNA)
where:
Base-Base interactions energy: -68.961
where: short stacking energy: -47.731
Base-Backbone interact. energy: -1.676
local terms energy: -116.902386
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -173.516051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.516051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.516051 (E_RNA)
where:
Base-Base interactions energy: -66.029
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.487
local terms energy: -106.999811
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -680.883096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.883096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.883096 (E_RNA)
where:
Base-Base interactions energy: -455.270
where: short stacking energy: -199.734
Base-Backbone interact. energy: -0.431
local terms energy: -225.182163
where:
bonds (distance) C4'-P energy: -39.626
bonds (distance) P-C4' energy: -39.687
flat angles C4'-P-C4' energy: -45.594
flat angles P-C4'-P energy: -37.733
tors. eta vs tors. theta energy: -62.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -649.429639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.429639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.429639 (E_RNA)
where:
Base-Base interactions energy: -426.376
where: short stacking energy: -199.779
Base-Backbone interact. energy: -0.180
local terms energy: -222.874161
where:
bonds (distance) C4'-P energy: -41.135
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -49.473
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -57.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -618.290990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.290990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.290990 (E_RNA)
where:
Base-Base interactions energy: -403.744
where: short stacking energy: -173.060
Base-Backbone interact. energy: 0.901
local terms energy: -215.448012
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -48.246
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -58.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -545.282034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.282034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.282034 (E_RNA)
where:
Base-Base interactions energy: -354.292
where: short stacking energy: -149.996
Base-Backbone interact. energy: 1.114
local terms energy: -192.104223
where:
bonds (distance) C4'-P energy: -37.039
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -41.027
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -45.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -554.920500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.920500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.920500 (E_RNA)
where:
Base-Base interactions energy: -361.003
where: short stacking energy: -146.297
Base-Backbone interact. energy: -1.536
local terms energy: -192.381322
where:
bonds (distance) C4'-P energy: -40.813
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -42.295
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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -537.335964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.335964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.335964 (E_RNA)
where:
Base-Base interactions energy: -359.758
where: short stacking energy: -165.043
Base-Backbone interact. energy: -1.440
local terms energy: -176.138340
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: -47.236
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: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -486.372586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.372586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.372586 (E_RNA)
where:
Base-Base interactions energy: -306.400
where: short stacking energy: -139.817
Base-Backbone interact. energy: -0.217
local terms energy: -179.755793
where:
bonds (distance) C4'-P energy: -40.564
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -42.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -297.605088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.605088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.605088 (E_RNA)
where:
Base-Base interactions energy: -152.061
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.340
local terms energy: -145.204734
where:
bonds (distance) C4'-P energy: -40.326
bonds (distance) P-C4' energy: -34.616
flat angles C4'-P-C4' energy: -39.151
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -176.492640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.492640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.492640 (E_RNA)
where:
Base-Base interactions energy: -72.131
where: short stacking energy: -60.705
Base-Backbone interact. energy: 1.700
local terms energy: -106.060980
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -162.934604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.934604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.934604 (E_RNA)
where:
Base-Base interactions energy: -51.722
where: short stacking energy: -45.411
Base-Backbone interact. energy: 0.206
local terms energy: -111.418736
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: 11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -670.231356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.231356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.231356 (E_RNA)
where:
Base-Base interactions energy: -454.932
where: short stacking energy: -209.338
Base-Backbone interact. energy: -0.680
local terms energy: -214.619867
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -41.670
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -64.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -635.418749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.418749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.418749 (E_RNA)
where:
Base-Base interactions energy: -417.953
where: short stacking energy: -192.129
Base-Backbone interact. energy: -0.832
local terms energy: -216.633873
where:
bonds (distance) C4'-P energy: -42.547
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -62.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -621.035968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.035968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.035968 (E_RNA)
where:
Base-Base interactions energy: -409.219
where: short stacking energy: -192.015
Base-Backbone interact. energy: -2.114
local terms energy: -209.703652
where:
bonds (distance) C4'-P energy: -35.500
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -62.166
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: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -554.068861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.068861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.068861 (E_RNA)
where:
Base-Base interactions energy: -369.341
where: short stacking energy: -154.734
Base-Backbone interact. energy: -0.185
local terms energy: -184.542044
where:
bonds (distance) C4'-P energy: -34.932
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -38.036
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -43.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -571.910559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.910559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.910559 (E_RNA)
where:
Base-Base interactions energy: -368.598
where: short stacking energy: -170.049
Base-Backbone interact. energy: -0.070
local terms energy: -203.242153
where:
bonds (distance) C4'-P energy: -40.946
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -33.937
tors. eta vs tors. theta energy: -49.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -543.164601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.164601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.164601 (E_RNA)
where:
Base-Base interactions energy: -357.446
where: short stacking energy: -152.292
Base-Backbone interact. energy: 1.487
local terms energy: -187.205576
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: -47.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -508.939173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.939173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.939173 (E_RNA)
where:
Base-Base interactions energy: -322.124
where: short stacking energy: -143.505
Base-Backbone interact. energy: -1.277
local terms energy: -185.538414
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -45.788
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -44.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -295.334520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.334520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.334520 (E_RNA)
where:
Base-Base interactions energy: -165.947
where: short stacking energy: -76.029
Base-Backbone interact. energy: -0.271
local terms energy: -129.116863
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -34.309
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -192.526178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.526178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.526178 (E_RNA)
where:
Base-Base interactions energy: -57.095
where: short stacking energy: -47.631
Base-Backbone interact. energy: 1.139
local terms energy: -136.570582
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -41.192
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -3.228
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: 352
Temperature: 1.350000
Total energy: -178.224726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.224726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.224726 (E_RNA)
where:
Base-Base interactions energy: -71.283
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.412
local terms energy: -106.530062
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -40.656
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: 7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -668.042363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.042363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.042363 (E_RNA)
where:
Base-Base interactions energy: -445.479
where: short stacking energy: -205.522
Base-Backbone interact. energy: -0.349
local terms energy: -222.213604
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -65.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -637.779356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.779356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.779356 (E_RNA)
where:
Base-Base interactions energy: -412.509
where: short stacking energy: -202.316
Base-Backbone interact. energy: -0.116
local terms energy: -225.154230
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -43.325
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -37.292
tors. eta vs tors. theta energy: -59.688
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: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -641.830742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.830742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.830742 (E_RNA)
where:
Base-Base interactions energy: -429.252
where: short stacking energy: -187.342
Base-Backbone interact. energy: -0.602
local terms energy: -211.976743
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -38.662
flat angles C4'-P-C4' energy: -47.691
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -62.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -545.902233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.902233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.902233 (E_RNA)
where:
Base-Base interactions energy: -361.088
where: short stacking energy: -165.153
Base-Backbone interact. energy: 1.881
local terms energy: -186.695770
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -41.472
flat angles P-C4'-P energy: -30.491
tors. eta vs tors. theta energy: -45.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -547.297047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.297047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.297047 (E_RNA)
where:
Base-Base interactions energy: -366.144
where: short stacking energy: -163.275
Base-Backbone interact. energy: 0.646
local terms energy: -181.799090
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -51.420
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: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -524.555419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.555419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.555419 (E_RNA)
where:
Base-Base interactions energy: -365.626
where: short stacking energy: -156.879
Base-Backbone interact. energy: -0.564
local terms energy: -158.365755
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -36.460
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: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -480.002155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.002155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.002155 (E_RNA)
where:
Base-Base interactions energy: -307.190
where: short stacking energy: -140.135
Base-Backbone interact. energy: -1.041
local terms energy: -171.770661
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -37.191
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: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -303.955888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.955888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.955888 (E_RNA)
where:
Base-Base interactions energy: -165.418
where: short stacking energy: -87.893
Base-Backbone interact. energy: -0.694
local terms energy: -137.844447
where:
bonds (distance) C4'-P energy: -31.979
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -16.270
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: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -198.543732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.543732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.543732 (E_RNA)
where:
Base-Base interactions energy: -80.967
where: short stacking energy: -55.209
Base-Backbone interact. energy: 1.688
local terms energy: -119.264995
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -33.710
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -10.874
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: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -165.925384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.925384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.925384 (E_RNA)
where:
Base-Base interactions energy: -56.827
where: short stacking energy: -29.394
Base-Backbone interact. energy: 1.108
local terms energy: -110.206626
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -35.627
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: 14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -663.717855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.717855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.717855 (E_RNA)
where:
Base-Base interactions energy: -443.767
where: short stacking energy: -200.293
Base-Backbone interact. energy: -0.305
local terms energy: -219.645374
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -42.312
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -67.829
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: 354
Temperature: 0.950000
Total energy: -642.271376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.271376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.271376 (E_RNA)
where:
Base-Base interactions energy: -431.689
where: short stacking energy: -190.638
Base-Backbone interact. energy: -0.634
local terms energy: -209.948850
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -25.952
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: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -612.026145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.026145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.026145 (E_RNA)
where:
Base-Base interactions energy: -385.651
where: short stacking energy: -175.439
Base-Backbone interact. energy: -1.029
local terms energy: -225.347041
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -44.587
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -32.367
tors. eta vs tors. theta energy: -59.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -576.224437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.224437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.224437 (E_RNA)
where:
Base-Base interactions energy: -385.070
where: short stacking energy: -174.462
Base-Backbone interact. energy: -0.805
local terms energy: -190.349317
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -35.091
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -547.649488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.649488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.649488 (E_RNA)
where:
Base-Base interactions energy: -360.789
where: short stacking energy: -153.236
Base-Backbone interact. energy: -0.196
local terms energy: -186.665311
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -44.273
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -40.528
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -505.738157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.738157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.738157 (E_RNA)
where:
Base-Base interactions energy: -331.307
where: short stacking energy: -140.721
Base-Backbone interact. energy: -0.994
local terms energy: -173.436541
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -38.964
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: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -491.653006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.653006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.653006 (E_RNA)
where:
Base-Base interactions energy: -321.106
where: short stacking energy: -128.835
Base-Backbone interact. energy: -0.584
local terms energy: -169.963255
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -23.868
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: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -307.186631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.186631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.186631 (E_RNA)
where:
Base-Base interactions energy: -168.819
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.885
local terms energy: -137.482339
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -235.900747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.900747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.900747 (E_RNA)
where:
Base-Base interactions energy: -120.815
where: short stacking energy: -69.718
Base-Backbone interact. energy: 2.127
local terms energy: -117.212517
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -178.377278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377278 (E_RNA)
where:
Base-Base interactions energy: -62.794
where: short stacking energy: -49.813
Base-Backbone interact. energy: 0.561
local terms energy: -116.144328
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -1.830
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: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -688.113106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.113106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.113106 (E_RNA)
where:
Base-Base interactions energy: -467.641
where: short stacking energy: -208.230
Base-Backbone interact. energy: -0.184
local terms energy: -220.288251
where:
bonds (distance) C4'-P energy: -41.945
bonds (distance) P-C4' energy: -38.446
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -66.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -639.568451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.568451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.568451 (E_RNA)
where:
Base-Base interactions energy: -411.293
where: short stacking energy: -188.241
Base-Backbone interact. energy: -0.678
local terms energy: -227.597074
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -43.374
flat angles C4'-P-C4' energy: -50.741
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -59.952
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: 355
Temperature: 1.000000
Total energy: -616.503591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.503591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.503591 (E_RNA)
where:
Base-Base interactions energy: -418.851
where: short stacking energy: -183.328
Base-Backbone interact. energy: 2.904
local terms energy: -200.556747
where:
bonds (distance) C4'-P energy: -35.356
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -57.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -577.007981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.007981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.007981 (E_RNA)
where:
Base-Base interactions energy: -386.942
where: short stacking energy: -162.150
Base-Backbone interact. energy: 0.721
local terms energy: -190.786634
where:
bonds (distance) C4'-P energy: -35.391
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -32.080
tors. eta vs tors. theta energy: -50.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -573.568658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.568658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.568658 (E_RNA)
where:
Base-Base interactions energy: -375.508
where: short stacking energy: -159.994
Base-Backbone interact. energy: 0.360
local terms energy: -198.420351
where:
bonds (distance) C4'-P energy: -37.164
bonds (distance) P-C4' energy: -39.604
flat angles C4'-P-C4' energy: -38.766
flat angles P-C4'-P energy: -32.717
tors. eta vs tors. theta energy: -50.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -521.737917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.737917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.737917 (E_RNA)
where:
Base-Base interactions energy: -341.041
where: short stacking energy: -148.241
Base-Backbone interact. energy: 0.199
local terms energy: -180.896052
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -43.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -512.330950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.330950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.330950 (E_RNA)
where:
Base-Base interactions energy: -359.882
where: short stacking energy: -154.392
Base-Backbone interact. energy: 1.746
local terms energy: -154.195125
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -34.151
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -344.088852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.088852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.088852 (E_RNA)
where:
Base-Base interactions energy: -209.955
where: short stacking energy: -94.743
Base-Backbone interact. energy: 1.407
local terms energy: -135.541466
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -28.061
tors. eta vs tors. theta energy: -19.006
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: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -183.562632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.562632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.562632 (E_RNA)
where:
Base-Base interactions energy: -58.020
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.674
local terms energy: -124.869071
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: 2.034
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: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -172.869868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.869868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.869868 (E_RNA)
where:
Base-Base interactions energy: -53.308
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.678
local terms energy: -118.884308
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -40.423
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -673.455663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.455663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.455663 (E_RNA)
where:
Base-Base interactions energy: -447.250
where: short stacking energy: -212.557
Base-Backbone interact. energy: -1.267
local terms energy: -224.939437
where:
bonds (distance) C4'-P energy: -37.601
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -44.556
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -69.126
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: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -635.694200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.694200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.694200 (E_RNA)
where:
Base-Base interactions energy: -425.226
where: short stacking energy: -182.418
Base-Backbone interact. energy: -0.936
local terms energy: -209.532448
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -43.404
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -60.469
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: 356
Temperature: 1.000000
Total energy: -618.838439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.838439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.838439 (E_RNA)
where:
Base-Base interactions energy: -423.059
where: short stacking energy: -186.836
Base-Backbone interact. energy: -0.862
local terms energy: -194.918225
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -54.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -587.240694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.240694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.240694 (E_RNA)
where:
Base-Base interactions energy: -385.234
where: short stacking energy: -178.078
Base-Backbone interact. energy: -0.336
local terms energy: -201.671221
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -39.773
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: -59.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -545.494956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.494956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.494956 (E_RNA)
where:
Base-Base interactions energy: -373.247
where: short stacking energy: -145.239
Base-Backbone interact. energy: -1.459
local terms energy: -170.789159
where:
bonds (distance) C4'-P energy: -39.219
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -32.880
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -49.009
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: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -536.139523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.139523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.139523 (E_RNA)
where:
Base-Base interactions energy: -363.460
where: short stacking energy: -167.599
Base-Backbone interact. energy: -1.402
local terms energy: -171.278214
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -25.708
tors. eta vs tors. theta energy: -43.203
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: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -451.637329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.637329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.637329 (E_RNA)
where:
Base-Base interactions energy: -291.338
where: short stacking energy: -121.309
Base-Backbone interact. energy: -0.405
local terms energy: -159.894042
where:
bonds (distance) C4'-P energy: -44.403
bonds (distance) P-C4' energy: -36.040
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -30.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -335.919974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.919974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.919974 (E_RNA)
where:
Base-Base interactions energy: -199.495
where: short stacking energy: -93.757
Base-Backbone interact. energy: 1.478
local terms energy: -137.902504
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -34.394
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -185.166445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.166445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.166445 (E_RNA)
where:
Base-Base interactions energy: -83.907
where: short stacking energy: -66.244
Base-Backbone interact. energy: -0.037
local terms energy: -101.222413
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: 3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -176.295159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.295159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.295159 (E_RNA)
where:
Base-Base interactions energy: -47.703
where: short stacking energy: -43.457
Base-Backbone interact. energy: -0.389
local terms energy: -128.203606
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -678.070621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.070621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.070621 (E_RNA)
where:
Base-Base interactions energy: -448.281
where: short stacking energy: -206.336
Base-Backbone interact. energy: -0.445
local terms energy: -229.343864
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -31.888
tors. eta vs tors. theta energy: -71.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -631.669024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.669024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.669024 (E_RNA)
where:
Base-Base interactions energy: -431.675
where: short stacking energy: -180.952
Base-Backbone interact. energy: -0.072
local terms energy: -199.921576
where:
bonds (distance) C4'-P energy: -35.038
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -55.745
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: 357
Temperature: 1.000000
Total energy: -599.008131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.008131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.008131 (E_RNA)
where:
Base-Base interactions energy: -389.812
where: short stacking energy: -166.698
Base-Backbone interact. energy: -0.499
local terms energy: -208.697295
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -48.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -570.461842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.461842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.461842 (E_RNA)
where:
Base-Base interactions energy: -373.769
where: short stacking energy: -164.913
Base-Backbone interact. energy: -0.666
local terms energy: -196.027058
where:
bonds (distance) C4'-P energy: -39.467
bonds (distance) P-C4' energy: -38.232
flat angles C4'-P-C4' energy: -37.312
flat angles P-C4'-P energy: -25.591
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: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -584.615014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.615014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.615014 (E_RNA)
where:
Base-Base interactions energy: -394.669
where: short stacking energy: -194.756
Base-Backbone interact. energy: -0.701
local terms energy: -189.244582
where:
bonds (distance) C4'-P energy: -35.960
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -42.574
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -58.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -551.077049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.077049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.077049 (E_RNA)
where:
Base-Base interactions energy: -370.806
where: short stacking energy: -157.899
Base-Backbone interact. energy: 0.025
local terms energy: -180.295931
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -42.067
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -45.189
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: 357
Temperature: 1.200000
Total energy: -481.061973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.061973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.061973 (E_RNA)
where:
Base-Base interactions energy: -306.955
where: short stacking energy: -128.088
Base-Backbone interact. energy: 2.727
local terms energy: -176.834556
where:
bonds (distance) C4'-P energy: -39.674
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -37.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -354.106937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.106937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.106937 (E_RNA)
where:
Base-Base interactions energy: -208.276
where: short stacking energy: -93.745
Base-Backbone interact. energy: 0.679
local terms energy: -146.509799
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -38.855
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -172.540709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.540709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.540709 (E_RNA)
where:
Base-Base interactions energy: -64.483
where: short stacking energy: -57.046
Base-Backbone interact. energy: -1.595
local terms energy: -106.463028
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -29.030
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -192.723974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.723974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.723974 (E_RNA)
where:
Base-Base interactions energy: -70.977
where: short stacking energy: -53.737
Base-Backbone interact. energy: -0.277
local terms energy: -121.470172
where:
bonds (distance) C4'-P energy: -36.387
bonds (distance) P-C4' energy: -41.271
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -676.647068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.647068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.647068 (E_RNA)
where:
Base-Base interactions energy: -450.226
where: short stacking energy: -209.845
Base-Backbone interact. energy: -0.540
local terms energy: -225.881327
where:
bonds (distance) C4'-P energy: -37.970
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -48.297
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -70.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -635.675857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.675857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.675857 (E_RNA)
where:
Base-Base interactions energy: -425.828
where: short stacking energy: -191.136
Base-Backbone interact. energy: -0.294
local terms energy: -209.553648
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -60.340
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: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -594.204223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.204223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.204223 (E_RNA)
where:
Base-Base interactions energy: -403.175
where: short stacking energy: -179.276
Base-Backbone interact. energy: -1.264
local terms energy: -189.765375
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -53.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -560.314115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.314115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.314115 (E_RNA)
where:
Base-Base interactions energy: -370.066
where: short stacking energy: -179.358
Base-Backbone interact. energy: 0.385
local terms energy: -190.633545
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -53.661
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: 358
Temperature: 1.100000
Total energy: -558.330525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.330525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.330525 (E_RNA)
where:
Base-Base interactions energy: -355.005
where: short stacking energy: -161.215
Base-Backbone interact. energy: 0.374
local terms energy: -203.699777
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -43.690
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: -57.540
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: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -552.690769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.690769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.690769 (E_RNA)
where:
Base-Base interactions energy: -369.338
where: short stacking energy: -162.970
Base-Backbone interact. energy: -0.665
local terms energy: -182.688014
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -45.835
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: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -488.124016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.124016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.124016 (E_RNA)
where:
Base-Base interactions energy: -322.731
where: short stacking energy: -133.382
Base-Backbone interact. energy: -0.226
local terms energy: -165.166699
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -37.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -374.414386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.414386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.414386 (E_RNA)
where:
Base-Base interactions energy: -230.827
where: short stacking energy: -109.284
Base-Backbone interact. energy: -0.196
local terms energy: -143.391314
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -38.235
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -177.840977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.840977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.840977 (E_RNA)
where:
Base-Base interactions energy: -64.693
where: short stacking energy: -31.005
Base-Backbone interact. energy: 1.978
local terms energy: -115.125622
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: 11.868
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: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -176.773080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.773080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.773080 (E_RNA)
where:
Base-Base interactions energy: -65.315
where: short stacking energy: -44.557
Base-Backbone interact. energy: -0.573
local terms energy: -110.885249
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: 3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -682.351494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.351494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.351494 (E_RNA)
where:
Base-Base interactions energy: -469.745
where: short stacking energy: -216.671
Base-Backbone interact. energy: -0.964
local terms energy: -211.641979
where:
bonds (distance) C4'-P energy: -36.366
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -69.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -628.104280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.104280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.104280 (E_RNA)
where:
Base-Base interactions energy: -414.768
where: short stacking energy: -180.563
Base-Backbone interact. energy: -0.769
local terms energy: -212.567444
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -45.896
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -61.457
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -620.227464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.227464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.227464 (E_RNA)
where:
Base-Base interactions energy: -407.062
where: short stacking energy: -182.876
Base-Backbone interact. energy: -0.298
local terms energy: -212.868013
where:
bonds (distance) C4'-P energy: -42.455
bonds (distance) P-C4' energy: -38.236
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -60.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -572.328442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.328442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.328442 (E_RNA)
where:
Base-Base interactions energy: -371.139
where: short stacking energy: -170.158
Base-Backbone interact. energy: -0.637
local terms energy: -200.551775
where:
bonds (distance) C4'-P energy: -40.376
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -40.980
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -50.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -577.765539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.765539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.765539 (E_RNA)
where:
Base-Base interactions energy: -384.971
where: short stacking energy: -157.878
Base-Backbone interact. energy: -0.778
local terms energy: -192.016045
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -38.979
flat angles C4'-P-C4' energy: -42.610
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -54.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -517.992412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.992412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.992412 (E_RNA)
where:
Base-Base interactions energy: -348.449
where: short stacking energy: -150.096
Base-Backbone interact. energy: -0.059
local terms energy: -169.484141
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -44.141
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -349.064553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.064553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.064553 (E_RNA)
where:
Base-Base interactions energy: -205.669
where: short stacking energy: -101.885
Base-Backbone interact. energy: -1.292
local terms energy: -142.103382
where:
bonds (distance) C4'-P energy: -40.049
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -389.323679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.323679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.323679 (E_RNA)
where:
Base-Base interactions energy: -241.271
where: short stacking energy: -112.931
Base-Backbone interact. energy: -0.261
local terms energy: -147.791800
where:
bonds (distance) C4'-P energy: -42.633
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -213.457675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.457675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.457675 (E_RNA)
where:
Base-Base interactions energy: -85.917
where: short stacking energy: -67.504
Base-Backbone interact. energy: 1.005
local terms energy: -128.545240
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -172.540780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.540780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.540780 (E_RNA)
where:
Base-Base interactions energy: -69.628
where: short stacking energy: -44.728
Base-Backbone interact. energy: -0.502
local terms energy: -102.411083
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: 3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -670.158516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.158516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.158516 (E_RNA)
where:
Base-Base interactions energy: -452.605
where: short stacking energy: -210.412
Base-Backbone interact. energy: -0.378
local terms energy: -217.175378
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -42.726
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -628.259101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.259101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.259101 (E_RNA)
where:
Base-Base interactions energy: -411.480
where: short stacking energy: -181.811
Base-Backbone interact. energy: 1.171
local terms energy: -217.949999
where:
bonds (distance) C4'-P energy: -45.152
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -44.015
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -61.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -634.382132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.382132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.382132 (E_RNA)
where:
Base-Base interactions energy: -428.872
where: short stacking energy: -180.544
Base-Backbone interact. energy: -0.026
local terms energy: -205.484070
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -43.990
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -54.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -572.976642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.976642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.976642 (E_RNA)
where:
Base-Base interactions energy: -378.360
where: short stacking energy: -172.848
Base-Backbone interact. energy: -1.026
local terms energy: -193.590917
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -41.630
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -51.380
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -568.772032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.772032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.772032 (E_RNA)
where:
Base-Base interactions energy: -381.316
where: short stacking energy: -156.599
Base-Backbone interact. energy: -1.999
local terms energy: -185.457554
where:
bonds (distance) C4'-P energy: -39.059
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -46.941
flat angles P-C4'-P energy: -19.953
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -507.488858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.488858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.488858 (E_RNA)
where:
Base-Base interactions energy: -335.794
where: short stacking energy: -151.743
Base-Backbone interact. energy: -0.327
local terms energy: -171.367675
where:
bonds (distance) C4'-P energy: -29.693
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -40.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -423.697442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.697442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.697442 (E_RNA)
where:
Base-Base interactions energy: -252.783
where: short stacking energy: -111.356
Base-Backbone interact. energy: -1.354
local terms energy: -169.560922
where:
bonds (distance) C4'-P energy: -40.733
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -42.576
flat angles P-C4'-P energy: -30.179
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -356.349167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.349167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.349167 (E_RNA)
where:
Base-Base interactions energy: -210.018
where: short stacking energy: -109.962
Base-Backbone interact. energy: -0.306
local terms energy: -146.024525
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -28.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -187.139996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.139996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.139996 (E_RNA)
where:
Base-Base interactions energy: -76.042
where: short stacking energy: -54.097
Base-Backbone interact. energy: -0.900
local terms energy: -110.197781
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -211.126360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.126360 (E_RNA)
where:
Base-Base interactions energy: -91.666
where: short stacking energy: -53.896
Base-Backbone interact. energy: -1.331
local terms energy: -118.128825
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -40.481
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: 5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -680.684767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.684767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.684767 (E_RNA)
where:
Base-Base interactions energy: -456.075
where: short stacking energy: -201.055
Base-Backbone interact. energy: -0.364
local terms energy: -224.246121
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -68.252
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: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -652.597134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.597134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.597134 (E_RNA)
where:
Base-Base interactions energy: -429.911
where: short stacking energy: -190.477
Base-Backbone interact. energy: -0.073
local terms energy: -222.613133
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -46.598
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -63.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -627.987742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.987742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.987742 (E_RNA)
where:
Base-Base interactions energy: -426.382
where: short stacking energy: -185.955
Base-Backbone interact. energy: 0.663
local terms energy: -202.268627
where:
bonds (distance) C4'-P energy: -37.671
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -45.037
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -53.200
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: 361
Temperature: 1.050000
Total energy: -606.438216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.438216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.438216 (E_RNA)
where:
Base-Base interactions energy: -404.397
where: short stacking energy: -159.776
Base-Backbone interact. energy: -0.621
local terms energy: -201.420317
where:
bonds (distance) C4'-P energy: -35.655
bonds (distance) P-C4' energy: -41.471
flat angles C4'-P-C4' energy: -43.625
flat angles P-C4'-P energy: -27.894
tors. eta vs tors. theta energy: -52.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -570.542071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.542071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.542071 (E_RNA)
where:
Base-Base interactions energy: -379.110
where: short stacking energy: -167.596
Base-Backbone interact. energy: 0.331
local terms energy: -191.763545
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -44.678
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -50.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -530.060000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.060000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.060000 (E_RNA)
where:
Base-Base interactions energy: -339.743
where: short stacking energy: -153.735
Base-Backbone interact. energy: -0.032
local terms energy: -190.285149
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -40.142
flat angles C4'-P-C4' energy: -40.492
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -49.254
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: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -405.933696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.933696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.933696 (E_RNA)
where:
Base-Base interactions energy: -251.715
where: short stacking energy: -113.967
Base-Backbone interact. energy: -3.385
local terms energy: -150.833309
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -390.994457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.994457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.994457 (E_RNA)
where:
Base-Base interactions energy: -234.463
where: short stacking energy: -115.308
Base-Backbone interact. energy: -0.867
local terms energy: -155.665176
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -28.841
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: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -172.517735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.517735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.517735 (E_RNA)
where:
Base-Base interactions energy: -66.539
where: short stacking energy: -54.221
Base-Backbone interact. energy: 0.175
local terms energy: -106.153664
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -22.854
tors. eta vs tors. theta energy: 6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -169.306957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.306957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.306957 (E_RNA)
where:
Base-Base interactions energy: -55.580
where: short stacking energy: -49.123
Base-Backbone interact. energy: 1.173
local terms energy: -114.899442
where:
bonds (distance) C4'-P energy: -36.832
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: 5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -665.313502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.313502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.313502 (E_RNA)
where:
Base-Base interactions energy: -446.504
where: short stacking energy: -211.295
Base-Backbone interact. energy: -0.197
local terms energy: -218.611909
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -36.198
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -67.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -622.835576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.835576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.835576 (E_RNA)
where:
Base-Base interactions energy: -420.444
where: short stacking energy: -181.574
Base-Backbone interact. energy: -0.612
local terms energy: -201.778884
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -43.207
flat angles C4'-P-C4' energy: -40.755
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -59.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -639.340139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.340139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.340139 (E_RNA)
where:
Base-Base interactions energy: -439.420
where: short stacking energy: -176.611
Base-Backbone interact. energy: -0.939
local terms energy: -198.981440
where:
bonds (distance) C4'-P energy: -35.629
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -28.372
tors. eta vs tors. theta energy: -55.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -599.521435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.521435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.521435 (E_RNA)
where:
Base-Base interactions energy: -399.214
where: short stacking energy: -172.252
Base-Backbone interact. energy: -0.111
local terms energy: -200.196514
where:
bonds (distance) C4'-P energy: -33.885
bonds (distance) P-C4' energy: -40.131
flat angles C4'-P-C4' energy: -40.038
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -59.294
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: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -563.907101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.907101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.907101 (E_RNA)
where:
Base-Base interactions energy: -365.706
where: short stacking energy: -165.188
Base-Backbone interact. energy: -0.560
local terms energy: -197.641182
where:
bonds (distance) C4'-P energy: -39.787
bonds (distance) P-C4' energy: -37.826
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -54.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -530.819137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.819137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.819137 (E_RNA)
where:
Base-Base interactions energy: -367.586
where: short stacking energy: -152.396
Base-Backbone interact. energy: -1.147
local terms energy: -162.086451
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -396.485289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.485289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.485289 (E_RNA)
where:
Base-Base interactions energy: -240.450
where: short stacking energy: -109.747
Base-Backbone interact. energy: 1.109
local terms energy: -157.145209
where:
bonds (distance) C4'-P energy: -35.041
bonds (distance) P-C4' energy: -41.208
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -26.605
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -393.634419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.634419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.634419 (E_RNA)
where:
Base-Base interactions energy: -232.572
where: short stacking energy: -115.068
Base-Backbone interact. energy: -0.970
local terms energy: -160.092539
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -199.479271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.479271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.479271 (E_RNA)
where:
Base-Base interactions energy: -83.278
where: short stacking energy: -74.733
Base-Backbone interact. energy: -1.100
local terms energy: -115.101428
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: 4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -175.441442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.441442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.441442 (E_RNA)
where:
Base-Base interactions energy: -46.104
where: short stacking energy: -35.380
Base-Backbone interact. energy: 1.931
local terms energy: -131.267956
where:
bonds (distance) C4'-P energy: -45.178
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -36.934
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: 8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -662.545481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.545481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.545481 (E_RNA)
where:
Base-Base interactions energy: -430.917
where: short stacking energy: -197.471
Base-Backbone interact. energy: -0.670
local terms energy: -230.958384
where:
bonds (distance) C4'-P energy: -39.019
bonds (distance) P-C4' energy: -42.428
flat angles C4'-P-C4' energy: -50.641
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: -57.539
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: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -621.885323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.885323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.885323 (E_RNA)
where:
Base-Base interactions energy: -410.353
where: short stacking energy: -185.563
Base-Backbone interact. energy: 0.019
local terms energy: -211.551032
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -44.838
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -57.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -653.910838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.910838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.910838 (E_RNA)
where:
Base-Base interactions energy: -450.378
where: short stacking energy: -183.917
Base-Backbone interact. energy: -0.085
local terms energy: -203.447688
where:
bonds (distance) C4'-P energy: -39.121
bonds (distance) P-C4' energy: -28.432
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -57.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -610.537506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.537506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.537506 (E_RNA)
where:
Base-Base interactions energy: -407.276
where: short stacking energy: -175.289
Base-Backbone interact. energy: -0.761
local terms energy: -202.500768
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -40.476
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -60.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -558.553779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.553779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.553779 (E_RNA)
where:
Base-Base interactions energy: -363.855
where: short stacking energy: -168.344
Base-Backbone interact. energy: -0.610
local terms energy: -194.088541
where:
bonds (distance) C4'-P energy: -31.248
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -44.326
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: -50.028
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: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -548.038620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.038620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.038620 (E_RNA)
where:
Base-Base interactions energy: -352.027
where: short stacking energy: -153.664
Base-Backbone interact. energy: -0.702
local terms energy: -195.309652
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -40.782
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -49.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -389.282801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.282801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.282801 (E_RNA)
where:
Base-Base interactions energy: -232.017
where: short stacking energy: -99.338
Base-Backbone interact. energy: -0.536
local terms energy: -156.730244
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -352.462924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.462924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.462924 (E_RNA)
where:
Base-Base interactions energy: -206.494
where: short stacking energy: -89.417
Base-Backbone interact. energy: 0.037
local terms energy: -146.006051
where:
bonds (distance) C4'-P energy: -37.725
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -187.064595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.064595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.064595 (E_RNA)
where:
Base-Base interactions energy: -83.575
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.446
local terms energy: -103.043499
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: 9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -166.774346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.774346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.774346 (E_RNA)
where:
Base-Base interactions energy: -56.596
where: short stacking energy: -49.032
Base-Backbone interact. energy: 0.038
local terms energy: -110.216755
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: 10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -671.350767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.350767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.350767 (E_RNA)
where:
Base-Base interactions energy: -456.736
where: short stacking energy: -200.571
Base-Backbone interact. energy: -0.339
local terms energy: -214.275616
where:
bonds (distance) C4'-P energy: -36.720
bonds (distance) P-C4' energy: -39.265
flat angles C4'-P-C4' energy: -45.686
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -64.160
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: 364
Temperature: 0.950000
Total energy: -625.895471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.895471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.895471 (E_RNA)
where:
Base-Base interactions energy: -426.737
where: short stacking energy: -187.254
Base-Backbone interact. energy: -0.620
local terms energy: -198.538340
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -45.170
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -54.725
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: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -633.230448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.230448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.230448 (E_RNA)
where:
Base-Base interactions energy: -437.365
where: short stacking energy: -195.446
Base-Backbone interact. energy: 0.711
local terms energy: -196.576511
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -39.593
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -55.298
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: 364
Temperature: 1.050000
Total energy: -629.634564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.634564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.634564 (E_RNA)
where:
Base-Base interactions energy: -428.685
where: short stacking energy: -164.135
Base-Backbone interact. energy: 0.318
local terms energy: -201.267757
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -38.876
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -56.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -539.131318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.131318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.131318 (E_RNA)
where:
Base-Base interactions energy: -347.618
where: short stacking energy: -158.368
Base-Backbone interact. energy: -0.033
local terms energy: -191.480517
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -43.688
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -49.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -538.253937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.253937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.253937 (E_RNA)
where:
Base-Base interactions energy: -354.431
where: short stacking energy: -156.426
Base-Backbone interact. energy: -1.019
local terms energy: -182.803017
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -45.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -354.214471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.214471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.214471 (E_RNA)
where:
Base-Base interactions energy: -204.208
where: short stacking energy: -94.443
Base-Backbone interact. energy: 1.526
local terms energy: -151.532213
where:
bonds (distance) C4'-P energy: -35.619
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -384.846591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.846591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.846591 (E_RNA)
where:
Base-Base interactions energy: -235.714
where: short stacking energy: -109.208
Base-Backbone interact. energy: -1.688
local terms energy: -147.444909
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -184.940328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.940328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.940328 (E_RNA)
where:
Base-Base interactions energy: -67.121
where: short stacking energy: -43.079
Base-Backbone interact. energy: -1.865
local terms energy: -115.954577
where:
bonds (distance) C4'-P energy: -35.807
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -174.367019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.367019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.367019 (E_RNA)
where:
Base-Base interactions energy: -56.419
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.718
local terms energy: -117.229808
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -673.605278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.605278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.605278 (E_RNA)
where:
Base-Base interactions energy: -449.821
where: short stacking energy: -204.741
Base-Backbone interact. energy: -0.381
local terms energy: -223.402838
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -45.417
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: -66.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -638.265097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.265097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.265097 (E_RNA)
where:
Base-Base interactions energy: -428.388
where: short stacking energy: -184.898
Base-Backbone interact. energy: -0.415
local terms energy: -209.462284
where:
bonds (distance) C4'-P energy: -37.535
bonds (distance) P-C4' energy: -35.343
flat angles C4'-P-C4' energy: -43.363
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -58.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -599.204660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.204660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.204660 (E_RNA)
where:
Base-Base interactions energy: -401.103
where: short stacking energy: -169.615
Base-Backbone interact. energy: -2.828
local terms energy: -195.273122
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -53.499
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: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -607.273340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.273340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.273340 (E_RNA)
where:
Base-Base interactions energy: -409.061
where: short stacking energy: -167.164
Base-Backbone interact. energy: -0.127
local terms energy: -198.084913
where:
bonds (distance) C4'-P energy: -41.256
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -39.225
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -54.184
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -549.078648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.078648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.078648 (E_RNA)
where:
Base-Base interactions energy: -365.245
where: short stacking energy: -165.968
Base-Backbone interact. energy: -1.388
local terms energy: -182.445828
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -49.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -524.141859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.141859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.141859 (E_RNA)
where:
Base-Base interactions energy: -342.944
where: short stacking energy: -151.114
Base-Backbone interact. energy: -0.102
local terms energy: -181.096584
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -45.791
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -375.277952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.277952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.277952 (E_RNA)
where:
Base-Base interactions energy: -232.555
where: short stacking energy: -110.792
Base-Backbone interact. energy: -0.978
local terms energy: -141.745363
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -41.535
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -366.451501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.451501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.451501 (E_RNA)
where:
Base-Base interactions energy: -231.078
where: short stacking energy: -101.758
Base-Backbone interact. energy: -0.625
local terms energy: -134.748356
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -181.223049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.223049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.223049 (E_RNA)
where:
Base-Base interactions energy: -68.558
where: short stacking energy: -47.073
Base-Backbone interact. energy: -0.478
local terms energy: -112.186994
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -163.164595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.164595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.164595 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.126
local terms energy: -122.442610
where:
bonds (distance) C4'-P energy: -36.048
bonds (distance) P-C4' energy: -38.932
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -651.225730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.225730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.225730 (E_RNA)
where:
Base-Base interactions energy: -438.565
where: short stacking energy: -199.640
Base-Backbone interact. energy: -0.044
local terms energy: -212.616725
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -46.842
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: -60.263
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: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -663.578035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.578035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.578035 (E_RNA)
where:
Base-Base interactions energy: -442.259
where: short stacking energy: -198.443
Base-Backbone interact. energy: -0.378
local terms energy: -220.941838
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -40.763
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -69.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -633.594731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.594731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.594731 (E_RNA)
where:
Base-Base interactions energy: -440.472
where: short stacking energy: -178.373
Base-Backbone interact. energy: -0.837
local terms energy: -192.285815
where:
bonds (distance) C4'-P energy: -38.325
bonds (distance) P-C4' energy: -35.681
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -49.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -570.093067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.093067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.093067 (E_RNA)
where:
Base-Base interactions energy: -367.415
where: short stacking energy: -150.118
Base-Backbone interact. energy: 0.110
local terms energy: -202.787950
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -46.107
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -47.417
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: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -537.941290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.941290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.941290 (E_RNA)
where:
Base-Base interactions energy: -356.085
where: short stacking energy: -161.484
Base-Backbone interact. energy: -0.429
local terms energy: -181.427075
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -44.745
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -45.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -535.861111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.861111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.861111 (E_RNA)
where:
Base-Base interactions energy: -353.093
where: short stacking energy: -168.591
Base-Backbone interact. energy: -0.217
local terms energy: -182.551279
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -53.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -385.934976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.934976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.934976 (E_RNA)
where:
Base-Base interactions energy: -235.275
where: short stacking energy: -97.357
Base-Backbone interact. energy: -1.800
local terms energy: -148.859505
where:
bonds (distance) C4'-P energy: -36.272
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -383.261262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.261262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.261262 (E_RNA)
where:
Base-Base interactions energy: -226.457
where: short stacking energy: -118.536
Base-Backbone interact. energy: -0.236
local terms energy: -156.568331
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -32.653
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: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -209.508707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.508707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.508707 (E_RNA)
where:
Base-Base interactions energy: -97.197
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.169
local terms energy: -112.142400
where:
bonds (distance) C4'-P energy: -39.981
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -168.761399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.761399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.761399 (E_RNA)
where:
Base-Base interactions energy: -55.506
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.829
local terms energy: -112.426694
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -25.964
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: 5.361
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: 367
Temperature: 0.900000
Total energy: -652.436972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.436972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.436972 (E_RNA)
where:
Base-Base interactions energy: -427.699
where: short stacking energy: -196.827
Base-Backbone interact. energy: -0.178
local terms energy: -224.559734
where:
bonds (distance) C4'-P energy: -42.143
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -44.072
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -61.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -661.514021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.514021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.514021 (E_RNA)
where:
Base-Base interactions energy: -437.643
where: short stacking energy: -197.992
Base-Backbone interact. energy: -0.541
local terms energy: -223.330844
where:
bonds (distance) C4'-P energy: -37.407
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -64.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -644.197464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.197464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.197464 (E_RNA)
where:
Base-Base interactions energy: -435.337
where: short stacking energy: -171.697
Base-Backbone interact. energy: 0.431
local terms energy: -209.290880
where:
bonds (distance) C4'-P energy: -39.467
bonds (distance) P-C4' energy: -39.273
flat angles C4'-P-C4' energy: -46.481
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -57.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -585.629800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.629800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.629800 (E_RNA)
where:
Base-Base interactions energy: -378.306
where: short stacking energy: -164.301
Base-Backbone interact. energy: -0.302
local terms energy: -207.022183
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -42.504
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -56.843
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: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -559.147413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.147413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.147413 (E_RNA)
where:
Base-Base interactions energy: -367.053
where: short stacking energy: -172.924
Base-Backbone interact. energy: -0.407
local terms energy: -191.687666
where:
bonds (distance) C4'-P energy: -37.684
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -41.266
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -50.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -546.606147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.606147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.606147 (E_RNA)
where:
Base-Base interactions energy: -358.884
where: short stacking energy: -166.966
Base-Backbone interact. energy: -1.577
local terms energy: -186.145284
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -43.260
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -46.707
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: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -395.905872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.905872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.905872 (E_RNA)
where:
Base-Base interactions energy: -245.177
where: short stacking energy: -125.764
Base-Backbone interact. energy: -0.587
local terms energy: -150.141921
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -31.230
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: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -354.367585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.367585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.367585 (E_RNA)
where:
Base-Base interactions energy: -223.507
where: short stacking energy: -113.223
Base-Backbone interact. energy: -2.120
local terms energy: -128.741411
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -21.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -199.892313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.892313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.892313 (E_RNA)
where:
Base-Base interactions energy: -87.799
where: short stacking energy: -63.472
Base-Backbone interact. energy: -1.001
local terms energy: -111.091869
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -36.978
flat angles C4'-P-C4' energy: -35.503
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -178.245109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.245109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.245109 (E_RNA)
where:
Base-Base interactions energy: -60.049
where: short stacking energy: -43.642
Base-Backbone interact. energy: -1.186
local terms energy: -117.010240
where:
bonds (distance) C4'-P energy: -33.574
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: 2.861
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: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -689.012303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.012303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.012303 (E_RNA)
where:
Base-Base interactions energy: -459.897
where: short stacking energy: -220.341
Base-Backbone interact. energy: -1.726
local terms energy: -227.389296
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -63.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -646.282034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.282034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.282034 (E_RNA)
where:
Base-Base interactions energy: -430.898
where: short stacking energy: -198.612
Base-Backbone interact. energy: -0.088
local terms energy: -215.296121
where:
bonds (distance) C4'-P energy: -39.706
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -61.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -642.690043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.690043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.690043 (E_RNA)
where:
Base-Base interactions energy: -454.466
where: short stacking energy: -186.872
Base-Backbone interact. energy: -1.271
local terms energy: -186.952893
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -57.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -588.066500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.066500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.066500 (E_RNA)
where:
Base-Base interactions energy: -401.069
where: short stacking energy: -184.678
Base-Backbone interact. energy: -0.071
local terms energy: -186.926277
where:
bonds (distance) C4'-P energy: -33.660
bonds (distance) P-C4' energy: -38.932
flat angles C4'-P-C4' energy: -44.167
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -53.169
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: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -535.604314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.604314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.604314 (E_RNA)
where:
Base-Base interactions energy: -353.501
where: short stacking energy: -150.862
Base-Backbone interact. energy: 0.668
local terms energy: -182.771046
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -37.414
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -48.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -521.416496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.416496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.416496 (E_RNA)
where:
Base-Base interactions energy: -347.794
where: short stacking energy: -156.560
Base-Backbone interact. energy: -2.055
local terms energy: -171.567525
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -34.686
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -45.000
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: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -349.873997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.873997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.873997 (E_RNA)
where:
Base-Base interactions energy: -204.814
where: short stacking energy: -111.911
Base-Backbone interact. energy: 2.815
local terms energy: -147.875198
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -24.943
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -347.082807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.082807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.082807 (E_RNA)
where:
Base-Base interactions energy: -212.932
where: short stacking energy: -92.261
Base-Backbone interact. energy: 0.310
local terms energy: -134.461694
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -191.412625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.412625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.412625 (E_RNA)
where:
Base-Base interactions energy: -68.118
where: short stacking energy: -58.043
Base-Backbone interact. energy: -0.339
local terms energy: -122.955348
where:
bonds (distance) C4'-P energy: -27.945
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -162.287075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.287075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.287075 (E_RNA)
where:
Base-Base interactions energy: -46.852
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.801
local terms energy: -114.634096
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: 8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -674.786134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.786134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.786134 (E_RNA)
where:
Base-Base interactions energy: -459.605
where: short stacking energy: -203.094
Base-Backbone interact. energy: 0.037
local terms energy: -215.217831
where:
bonds (distance) C4'-P energy: -39.239
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -44.352
flat angles P-C4'-P energy: -34.322
tors. eta vs tors. theta energy: -59.973
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: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -662.672667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.672667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.672667 (E_RNA)
where:
Base-Base interactions energy: -449.555
where: short stacking energy: -169.391
Base-Backbone interact. energy: -1.704
local terms energy: -211.413678
where:
bonds (distance) C4'-P energy: -46.604
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -46.106
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -50.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -637.515934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.515934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.515934 (E_RNA)
where:
Base-Base interactions energy: -429.406
where: short stacking energy: -195.563
Base-Backbone interact. energy: -0.662
local terms energy: -207.447542
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -36.070
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -60.002
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: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -571.224504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.224504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.224504 (E_RNA)
where:
Base-Base interactions energy: -378.986
where: short stacking energy: -164.742
Base-Backbone interact. energy: -2.056
local terms energy: -190.182756
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -51.121
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: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -540.903606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.903606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.903606 (E_RNA)
where:
Base-Base interactions energy: -352.854
where: short stacking energy: -156.751
Base-Backbone interact. energy: -0.788
local terms energy: -187.261383
where:
bonds (distance) C4'-P energy: -41.897
bonds (distance) P-C4' energy: -40.439
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -44.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -518.863503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.863503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.863503 (E_RNA)
where:
Base-Base interactions energy: -335.167
where: short stacking energy: -161.085
Base-Backbone interact. energy: -0.105
local terms energy: -183.591967
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -39.272
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -41.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -372.721446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.721446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.721446 (E_RNA)
where:
Base-Base interactions energy: -229.537
where: short stacking energy: -103.596
Base-Backbone interact. energy: -0.395
local terms energy: -142.790174
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -28.473
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: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -375.578094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.578094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.578094 (E_RNA)
where:
Base-Base interactions energy: -224.005
where: short stacking energy: -102.916
Base-Backbone interact. energy: -1.063
local terms energy: -150.510055
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -37.169
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -174.395509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.395509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.395509 (E_RNA)
where:
Base-Base interactions energy: -59.003
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.281
local terms energy: -115.111502
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: 14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -213.414619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.414619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.414619 (E_RNA)
where:
Base-Base interactions energy: -98.800
where: short stacking energy: -60.635
Base-Backbone interact. energy: -0.239
local terms energy: -114.375415
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -674.291385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.291385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.291385 (E_RNA)
where:
Base-Base interactions energy: -459.239
where: short stacking energy: -199.572
Base-Backbone interact. energy: -0.387
local terms energy: -214.665737
where:
bonds (distance) C4'-P energy: -38.524
bonds (distance) P-C4' energy: -40.334
flat angles C4'-P-C4' energy: -41.955
flat angles P-C4'-P energy: -27.497
tors. eta vs tors. theta energy: -66.355
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: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -645.843290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.843290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.843290 (E_RNA)
where:
Base-Base interactions energy: -452.956
where: short stacking energy: -184.057
Base-Backbone interact. energy: -0.737
local terms energy: -192.149356
where:
bonds (distance) C4'-P energy: -41.636
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -53.300
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: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -603.100540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.100540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.100540 (E_RNA)
where:
Base-Base interactions energy: -395.902
where: short stacking energy: -182.851
Base-Backbone interact. energy: 0.838
local terms energy: -208.036413
where:
bonds (distance) C4'-P energy: -40.307
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -42.952
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -53.785
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: 370
Temperature: 1.050000
Total energy: -619.740743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.740743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.740743 (E_RNA)
where:
Base-Base interactions energy: -425.752
where: short stacking energy: -191.873
Base-Backbone interact. energy: -0.062
local terms energy: -193.926913
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: -60.199
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: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -543.933777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.933777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.933777 (E_RNA)
where:
Base-Base interactions energy: -366.782
where: short stacking energy: -165.087
Base-Backbone interact. energy: -0.896
local terms energy: -176.255912
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -37.438
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -46.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -519.504458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.504458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.504458 (E_RNA)
where:
Base-Base interactions energy: -337.080
where: short stacking energy: -150.893
Base-Backbone interact. energy: 0.078
local terms energy: -182.502928
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -40.951
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -42.088
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: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -359.225048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.225048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.225048 (E_RNA)
where:
Base-Base interactions energy: -218.360
where: short stacking energy: -89.941
Base-Backbone interact. energy: -1.570
local terms energy: -139.295125
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -365.027798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.027798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.027798 (E_RNA)
where:
Base-Base interactions energy: -228.440
where: short stacking energy: -106.784
Base-Backbone interact. energy: 2.812
local terms energy: -139.399400
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -31.519
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -23.674
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: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -178.355501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.355501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.355501 (E_RNA)
where:
Base-Base interactions energy: -62.946
where: short stacking energy: -48.478
Base-Backbone interact. energy: 0.747
local terms energy: -116.156728
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -36.193
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: 3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -180.846920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.846920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.846920 (E_RNA)
where:
Base-Base interactions energy: -66.419
where: short stacking energy: -31.505
Base-Backbone interact. energy: -0.520
local terms energy: -113.908298
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: 2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -681.801003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.801003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.801003 (E_RNA)
where:
Base-Base interactions energy: -459.663
where: short stacking energy: -207.092
Base-Backbone interact. energy: -0.822
local terms energy: -221.315961
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -64.701
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: 371
Temperature: 0.950000
Total energy: -610.291909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.291909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.291909 (E_RNA)
where:
Base-Base interactions energy: -393.022
where: short stacking energy: -176.488
Base-Backbone interact. energy: -1.307
local terms energy: -215.962353
where:
bonds (distance) C4'-P energy: -40.441
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -58.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -631.081190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.081190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.081190 (E_RNA)
where:
Base-Base interactions energy: -436.631
where: short stacking energy: -181.868
Base-Backbone interact. energy: -0.880
local terms energy: -193.570674
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -43.519
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -49.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -602.390648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.390648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.390648 (E_RNA)
where:
Base-Base interactions energy: -402.318
where: short stacking energy: -169.764
Base-Backbone interact. energy: -0.807
local terms energy: -199.265305
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -42.709
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -24.298
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: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -556.057794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.057794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.057794 (E_RNA)
where:
Base-Base interactions energy: -372.847
where: short stacking energy: -168.448
Base-Backbone interact. energy: -1.158
local terms energy: -182.052799
where:
bonds (distance) C4'-P energy: -40.089
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -35.995
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: -43.846
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -501.253986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.253986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.253986 (E_RNA)
where:
Base-Base interactions energy: -321.673
where: short stacking energy: -140.332
Base-Backbone interact. energy: 0.119
local terms energy: -179.700274
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -38.869
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -37.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -352.740396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.740396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.740396 (E_RNA)
where:
Base-Base interactions energy: -210.811
where: short stacking energy: -104.703
Base-Backbone interact. energy: -0.645
local terms energy: -141.284015
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -23.511
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -334.126715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.126715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.126715 (E_RNA)
where:
Base-Base interactions energy: -199.045
where: short stacking energy: -90.313
Base-Backbone interact. energy: -0.629
local terms energy: -134.452709
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -40.812
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -14.185
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: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -186.585407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.585407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.585407 (E_RNA)
where:
Base-Base interactions energy: -71.856
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.951
local terms energy: -113.778090
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -6.566
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: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -185.350101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.350101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.350101 (E_RNA)
where:
Base-Base interactions energy: -54.687
where: short stacking energy: -48.213
Base-Backbone interact. energy: 0.298
local terms energy: -130.961019
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -35.399
flat angles C4'-P-C4' energy: -37.179
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -675.173601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.173601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.173601 (E_RNA)
where:
Base-Base interactions energy: -458.617
where: short stacking energy: -204.336
Base-Backbone interact. energy: -0.682
local terms energy: -215.873808
where:
bonds (distance) C4'-P energy: -32.461
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -46.597
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -68.170
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: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -618.701093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.701093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.701093 (E_RNA)
where:
Base-Base interactions energy: -415.749
where: short stacking energy: -178.906
Base-Backbone interact. energy: -0.182
local terms energy: -202.769972
where:
bonds (distance) C4'-P energy: -35.891
bonds (distance) P-C4' energy: -37.966
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: -58.419
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -625.976476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.976476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.976476 (E_RNA)
where:
Base-Base interactions energy: -432.415
where: short stacking energy: -162.515
Base-Backbone interact. energy: -0.884
local terms energy: -192.677318
where:
bonds (distance) C4'-P energy: -37.624
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -40.972
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -51.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -600.139855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.139855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.139855 (E_RNA)
where:
Base-Base interactions energy: -401.114
where: short stacking energy: -169.412
Base-Backbone interact. energy: 0.690
local terms energy: -199.716588
where:
bonds (distance) C4'-P energy: -39.675
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -42.925
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -49.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -536.618831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.618831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.618831 (E_RNA)
where:
Base-Base interactions energy: -349.830
where: short stacking energy: -143.138
Base-Backbone interact. energy: -0.753
local terms energy: -186.035839
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -43.861
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: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -520.130635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.130635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.130635 (E_RNA)
where:
Base-Base interactions energy: -347.146
where: short stacking energy: -158.108
Base-Backbone interact. energy: -1.079
local terms energy: -171.905420
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -40.278
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -38.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -320.889708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.889708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.889708 (E_RNA)
where:
Base-Base interactions energy: -193.977
where: short stacking energy: -91.102
Base-Backbone interact. energy: -0.006
local terms energy: -126.906658
where:
bonds (distance) C4'-P energy: -41.596
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -348.239887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.239887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.239887 (E_RNA)
where:
Base-Base interactions energy: -210.584
where: short stacking energy: -101.422
Base-Backbone interact. energy: -0.595
local terms energy: -137.060341
where:
bonds (distance) C4'-P energy: -35.810
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -19.155
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: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -198.333467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.333467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.333467 (E_RNA)
where:
Base-Base interactions energy: -77.711
where: short stacking energy: -45.922
Base-Backbone interact. energy: 0.270
local terms energy: -120.892812
where:
bonds (distance) C4'-P energy: -34.488
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -192.606461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606461 (E_RNA)
where:
Base-Base interactions energy: -81.061
where: short stacking energy: -67.386
Base-Backbone interact. energy: -1.231
local terms energy: -110.314291
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -2.689
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: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -679.066743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.066743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.066743 (E_RNA)
where:
Base-Base interactions energy: -456.381
where: short stacking energy: -210.019
Base-Backbone interact. energy: -0.168
local terms energy: -222.517552
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -68.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -630.362240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.362240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.362240 (E_RNA)
where:
Base-Base interactions energy: -428.985
where: short stacking energy: -176.087
Base-Backbone interact. energy: -1.584
local terms energy: -199.793636
where:
bonds (distance) C4'-P energy: -38.948
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -39.050
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: -47.531
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: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -618.128295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.128295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.128295 (E_RNA)
where:
Base-Base interactions energy: -422.940
where: short stacking energy: -182.445
Base-Backbone interact. energy: -0.522
local terms energy: -194.666032
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -59.150
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -611.307416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.307416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.307416 (E_RNA)
where:
Base-Base interactions energy: -412.748
where: short stacking energy: -157.268
Base-Backbone interact. energy: -0.488
local terms energy: -198.071640
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -43.932
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -25.572
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: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -555.248997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.248997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.248997 (E_RNA)
where:
Base-Base interactions energy: -380.541
where: short stacking energy: -159.673
Base-Backbone interact. energy: -1.576
local terms energy: -173.132209
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -32.186
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -43.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -538.032061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.032061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.032061 (E_RNA)
where:
Base-Base interactions energy: -359.783
where: short stacking energy: -165.374
Base-Backbone interact. energy: -0.643
local terms energy: -177.606478
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -47.818
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: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -328.498406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.498406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.498406 (E_RNA)
where:
Base-Base interactions energy: -176.945
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.048
local terms energy: -151.504779
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -19.523
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: 373
Temperature: 1.250000
Total energy: -316.725775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.725775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.725775 (E_RNA)
where:
Base-Base interactions energy: -169.847
where: short stacking energy: -85.032
Base-Backbone interact. energy: 1.566
local terms energy: -148.444399
where:
bonds (distance) C4'-P energy: -37.806
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -44.574
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -203.141990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.141990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.141990 (E_RNA)
where:
Base-Base interactions energy: -76.013
where: short stacking energy: -54.267
Base-Backbone interact. energy: 0.971
local terms energy: -128.100416
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -36.457
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -170.087246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.087246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.087246 (E_RNA)
where:
Base-Base interactions energy: -51.676
where: short stacking energy: -41.501
Base-Backbone interact. energy: -0.690
local terms energy: -117.721996
where:
bonds (distance) C4'-P energy: -36.344
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -34.755
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: 4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -692.435313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.435313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.435313 (E_RNA)
where:
Base-Base interactions energy: -467.271
where: short stacking energy: -208.274
Base-Backbone interact. energy: 0.436
local terms energy: -225.600406
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -47.866
flat angles C4'-P-C4' energy: -45.762
flat angles P-C4'-P energy: -24.478
tors. eta vs tors. theta energy: -71.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -628.721947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.721947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.721947 (E_RNA)
where:
Base-Base interactions energy: -428.887
where: short stacking energy: -176.138
Base-Backbone interact. energy: -0.160
local terms energy: -199.674756
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -44.006
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -52.260
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: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -615.107948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.107948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.107948 (E_RNA)
where:
Base-Base interactions energy: -411.223
where: short stacking energy: -181.703
Base-Backbone interact. energy: -1.149
local terms energy: -202.736181
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -40.018
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -56.766
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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -618.579360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.579360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.579360 (E_RNA)
where:
Base-Base interactions energy: -410.744
where: short stacking energy: -177.590
Base-Backbone interact. energy: -0.308
local terms energy: -207.527093
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -41.720
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -56.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -527.585643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.585643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.585643 (E_RNA)
where:
Base-Base interactions energy: -353.642
where: short stacking energy: -161.299
Base-Backbone interact. energy: -0.132
local terms energy: -173.810937
where:
bonds (distance) C4'-P energy: -34.102
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -51.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -529.817022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.817022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.817022 (E_RNA)
where:
Base-Base interactions energy: -348.851
where: short stacking energy: -160.361
Base-Backbone interact. energy: -0.534
local terms energy: -180.432332
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -40.381
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -43.270
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -298.824822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.824822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.824822 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -86.028
Base-Backbone interact. energy: -0.807
local terms energy: -151.166887
where:
bonds (distance) C4'-P energy: -40.849
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -337.798091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.798091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.798091 (E_RNA)
where:
Base-Base interactions energy: -203.480
where: short stacking energy: -104.220
Base-Backbone interact. energy: -0.189
local terms energy: -134.129433
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -33.743
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -25.222
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -183.224298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.224298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.224298 (E_RNA)
where:
Base-Base interactions energy: -58.424
where: short stacking energy: -55.528
Base-Backbone interact. energy: -1.269
local terms energy: -123.530741
where:
bonds (distance) C4'-P energy: -38.993
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: 3.422
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: 374
Temperature: 1.350000
Total energy: -161.063778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.063778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.063778 (E_RNA)
where:
Base-Base interactions energy: -47.451
where: short stacking energy: -46.646
Base-Backbone interact. energy: 1.261
local terms energy: -114.873547
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -35.484
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -673.131511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.131511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.131511 (E_RNA)
where:
Base-Base interactions energy: -467.384
where: short stacking energy: -191.242
Base-Backbone interact. energy: -0.181
local terms energy: -205.565976
where:
bonds (distance) C4'-P energy: -43.829
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -46.977
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -56.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -655.937624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.937624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.937624 (E_RNA)
where:
Base-Base interactions energy: -444.698
where: short stacking energy: -185.339
Base-Backbone interact. energy: -0.750
local terms energy: -210.489908
where:
bonds (distance) C4'-P energy: -43.420
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -48.890
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -57.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -614.837960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.837960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.837960 (E_RNA)
where:
Base-Base interactions energy: -423.393
where: short stacking energy: -175.647
Base-Backbone interact. energy: -0.134
local terms energy: -191.311676
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -26.762
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -624.173986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.173986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.173986 (E_RNA)
where:
Base-Base interactions energy: -415.879
where: short stacking energy: -180.876
Base-Backbone interact. energy: -0.263
local terms energy: -208.032004
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -44.159
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -59.189
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: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -545.685669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.685669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.685669 (E_RNA)
where:
Base-Base interactions energy: -359.978
where: short stacking energy: -158.100
Base-Backbone interact. energy: -0.553
local terms energy: -185.154766
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -40.108
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -50.589
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: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -508.462061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.462061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.462061 (E_RNA)
where:
Base-Base interactions energy: -340.670
where: short stacking energy: -165.506
Base-Backbone interact. energy: 0.641
local terms energy: -168.433059
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -39.543
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -40.890
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: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -340.776105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.776105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.776105 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -97.910
Base-Backbone interact. energy: -0.696
local terms energy: -143.954023
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -17.598
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: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -329.267700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.267700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.267700 (E_RNA)
where:
Base-Base interactions energy: -198.714
where: short stacking energy: -90.640
Base-Backbone interact. energy: 0.282
local terms energy: -130.836132
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -204.185388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.185388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.185388 (E_RNA)
where:
Base-Base interactions energy: -74.705
where: short stacking energy: -58.765
Base-Backbone interact. energy: 0.201
local terms energy: -129.681533
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -44.077
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -7.410
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: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -176.088399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.088399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.088399 (E_RNA)
where:
Base-Base interactions energy: -83.655
where: short stacking energy: -56.647
Base-Backbone interact. energy: 1.515
local terms energy: -93.948521
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: 4.857
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: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -658.043386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.043386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.043386 (E_RNA)
where:
Base-Base interactions energy: -450.509
where: short stacking energy: -185.139
Base-Backbone interact. energy: -0.411
local terms energy: -207.122898
where:
bonds (distance) C4'-P energy: -40.630
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -46.538
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -54.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -657.458094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.458094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.458094 (E_RNA)
where:
Base-Base interactions energy: -451.439
where: short stacking energy: -200.819
Base-Backbone interact. energy: -0.222
local terms energy: -205.797011
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -59.622
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: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -640.389308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.389308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.389308 (E_RNA)
where:
Base-Base interactions energy: -427.828
where: short stacking energy: -185.628
Base-Backbone interact. energy: -1.890
local terms energy: -210.671466
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -42.158
flat angles C4'-P-C4' energy: -41.696
flat angles P-C4'-P energy: -29.109
tors. eta vs tors. theta energy: -59.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -597.577994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.577994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.577994 (E_RNA)
where:
Base-Base interactions energy: -404.527
where: short stacking energy: -183.725
Base-Backbone interact. energy: 2.387
local terms energy: -195.437523
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -58.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -559.275265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.275265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.275265 (E_RNA)
where:
Base-Base interactions energy: -356.947
where: short stacking energy: -164.019
Base-Backbone interact. energy: -0.409
local terms energy: -201.919898
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -47.315
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -53.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -556.841366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.841366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.841366 (E_RNA)
where:
Base-Base interactions energy: -365.201
where: short stacking energy: -176.173
Base-Backbone interact. energy: -0.166
local terms energy: -191.474413
where:
bonds (distance) C4'-P energy: -28.976
bonds (distance) P-C4' energy: -41.444
flat angles C4'-P-C4' energy: -43.303
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -45.792
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: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -311.800806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.800806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.800806 (E_RNA)
where:
Base-Base interactions energy: -166.384
where: short stacking energy: -93.372
Base-Backbone interact. energy: -0.540
local terms energy: -144.877026
where:
bonds (distance) C4'-P energy: -43.132
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -315.033039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.033039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.033039 (E_RNA)
where:
Base-Base interactions energy: -185.018
where: short stacking energy: -72.897
Base-Backbone interact. energy: 0.127
local terms energy: -130.141996
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -6.116
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: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -208.342193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342193 (E_RNA)
where:
Base-Base interactions energy: -95.515
where: short stacking energy: -45.784
Base-Backbone interact. energy: 3.016
local terms energy: -115.843297
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: 6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -163.848149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.848149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.848149 (E_RNA)
where:
Base-Base interactions energy: -60.675
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.948
local terms energy: -102.225155
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -31.110
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: 6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -634.920746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.920746 (E_RNA)
where:
Base-Base interactions energy: -429.657
where: short stacking energy: -169.630
Base-Backbone interact. energy: -0.966
local terms energy: -204.297277
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -33.614
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -57.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -637.846880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.846880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.846880 (E_RNA)
where:
Base-Base interactions energy: -441.913
where: short stacking energy: -174.640
Base-Backbone interact. energy: 0.090
local terms energy: -196.023966
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -42.339
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -53.507
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: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -627.730041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.730041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.730041 (E_RNA)
where:
Base-Base interactions energy: -418.476
where: short stacking energy: -195.016
Base-Backbone interact. energy: 1.049
local terms energy: -210.303027
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -42.729
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -59.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -606.956787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.956787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.956787 (E_RNA)
where:
Base-Base interactions energy: -401.834
where: short stacking energy: -181.940
Base-Backbone interact. energy: 0.162
local terms energy: -205.285155
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -54.571
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: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -546.054505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.054505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.054505 (E_RNA)
where:
Base-Base interactions energy: -348.825
where: short stacking energy: -154.863
Base-Backbone interact. energy: -0.502
local terms energy: -196.727460
where:
bonds (distance) C4'-P energy: -37.973
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -46.492
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -519.823670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.823670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.823670 (E_RNA)
where:
Base-Base interactions energy: -346.586
where: short stacking energy: -157.124
Base-Backbone interact. energy: 1.059
local terms energy: -174.296837
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -19.838
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: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -330.946944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.946944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.946944 (E_RNA)
where:
Base-Base interactions energy: -182.500
where: short stacking energy: -90.174
Base-Backbone interact. energy: -0.727
local terms energy: -147.719768
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -328.994359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.994359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.994359 (E_RNA)
where:
Base-Base interactions energy: -185.301
where: short stacking energy: -95.953
Base-Backbone interact. energy: -1.828
local terms energy: -141.865371
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -174.379649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.379649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.379649 (E_RNA)
where:
Base-Base interactions energy: -67.428
where: short stacking energy: -54.849
Base-Backbone interact. energy: 1.300
local terms energy: -108.251484
where:
bonds (distance) C4'-P energy: -38.022
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -179.776222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.776222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.776222 (E_RNA)
where:
Base-Base interactions energy: -58.745
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.513
local terms energy: -120.517793
where:
bonds (distance) C4'-P energy: -31.291
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -0.101
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: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -659.693401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.693401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.693401 (E_RNA)
where:
Base-Base interactions energy: -443.898
where: short stacking energy: -193.134
Base-Backbone interact. energy: -0.948
local terms energy: -214.847036
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -43.560
flat angles C4'-P-C4' energy: -40.313
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -63.701
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: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -633.791623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.791623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.791623 (E_RNA)
where:
Base-Base interactions energy: -431.372
where: short stacking energy: -173.449
Base-Backbone interact. energy: -1.702
local terms energy: -200.717228
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -28.028
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: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -636.285906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.285906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.285906 (E_RNA)
where:
Base-Base interactions energy: -428.503
where: short stacking energy: -196.612
Base-Backbone interact. energy: -2.587
local terms energy: -205.195800
where:
bonds (distance) C4'-P energy: -37.404
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -33.077
tors. eta vs tors. theta energy: -59.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -575.910032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.910032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.910032 (E_RNA)
where:
Base-Base interactions energy: -382.987
where: short stacking energy: -164.995
Base-Backbone interact. energy: 0.748
local terms energy: -193.671181
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -27.401
tors. eta vs tors. theta energy: -49.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -520.328451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.328451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.328451 (E_RNA)
where:
Base-Base interactions energy: -335.135
where: short stacking energy: -154.283
Base-Backbone interact. energy: -0.717
local terms energy: -184.476729
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -45.917
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: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -540.424801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.424801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.424801 (E_RNA)
where:
Base-Base interactions energy: -357.874
where: short stacking energy: -154.186
Base-Backbone interact. energy: -0.264
local terms energy: -182.286286
where:
bonds (distance) C4'-P energy: -38.361
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -38.573
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -427.620340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.620340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.620340 (E_RNA)
where:
Base-Base interactions energy: -269.647
where: short stacking energy: -132.707
Base-Backbone interact. energy: -2.134
local terms energy: -155.839473
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -37.887
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -34.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -333.778005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.778005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.778005 (E_RNA)
where:
Base-Base interactions energy: -192.582
where: short stacking energy: -95.757
Base-Backbone interact. energy: 0.545
local terms energy: -141.740299
where:
bonds (distance) C4'-P energy: -35.259
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -41.535
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -176.918175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.918175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.918175 (E_RNA)
where:
Base-Base interactions energy: -48.464
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.267
local terms energy: -128.187293
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -42.263
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -165.537150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.537150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.537150 (E_RNA)
where:
Base-Base interactions energy: -53.414
where: short stacking energy: -44.035
Base-Backbone interact. energy: -0.648
local terms energy: -111.475332
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -20.482
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: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -651.977861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.977861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.977861 (E_RNA)
where:
Base-Base interactions energy: -434.511
where: short stacking energy: -186.331
Base-Backbone interact. energy: -0.905
local terms energy: -216.562545
where:
bonds (distance) C4'-P energy: -46.141
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -61.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -663.232143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.232143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.232143 (E_RNA)
where:
Base-Base interactions energy: -448.488
where: short stacking energy: -187.144
Base-Backbone interact. energy: -0.832
local terms energy: -213.912499
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -48.056
flat angles P-C4'-P energy: -33.821
tors. eta vs tors. theta energy: -61.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -627.216756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.216756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.216756 (E_RNA)
where:
Base-Base interactions energy: -422.428
where: short stacking energy: -181.974
Base-Backbone interact. energy: -0.135
local terms energy: -204.653134
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -42.801
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -57.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -594.722544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.722544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.722544 (E_RNA)
where:
Base-Base interactions energy: -396.383
where: short stacking energy: -168.168
Base-Backbone interact. energy: -0.052
local terms energy: -198.287298
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -37.712
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -51.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -535.550447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.550447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.550447 (E_RNA)
where:
Base-Base interactions energy: -338.697
where: short stacking energy: -156.443
Base-Backbone interact. energy: -0.559
local terms energy: -196.294647
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -45.907
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -47.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -518.194215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.194215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.194215 (E_RNA)
where:
Base-Base interactions energy: -336.644
where: short stacking energy: -148.668
Base-Backbone interact. energy: -1.266
local terms energy: -180.283881
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -39.694
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -40.073
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: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -377.914802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.914802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.914802 (E_RNA)
where:
Base-Base interactions energy: -226.514
where: short stacking energy: -115.625
Base-Backbone interact. energy: -0.710
local terms energy: -150.691099
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -397.162873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.162873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.162873 (E_RNA)
where:
Base-Base interactions energy: -240.344
where: short stacking energy: -98.167
Base-Backbone interact. energy: -1.213
local terms energy: -155.605936
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -43.352
flat angles C4'-P-C4' energy: -29.874
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -181.059195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059195 (E_RNA)
where:
Base-Base interactions energy: -77.189
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.551
local terms energy: -103.319138
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -11.193
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: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -164.581184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.581184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.581184 (E_RNA)
where:
Base-Base interactions energy: -67.279
where: short stacking energy: -43.764
Base-Backbone interact. energy: 0.520
local terms energy: -97.821528
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: 5.172
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: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -675.326531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.326531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.326531 (E_RNA)
where:
Base-Base interactions energy: -471.716
where: short stacking energy: -193.626
Base-Backbone interact. energy: -1.616
local terms energy: -201.994666
where:
bonds (distance) C4'-P energy: -37.634
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -45.686
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -53.501
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: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -651.504276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.504276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.504276 (E_RNA)
where:
Base-Base interactions energy: -434.183
where: short stacking energy: -181.352
Base-Backbone interact. energy: -0.244
local terms energy: -217.077606
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -44.320
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -61.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -647.098150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.098150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.098150 (E_RNA)
where:
Base-Base interactions energy: -436.222
where: short stacking energy: -199.617
Base-Backbone interact. energy: -0.538
local terms energy: -210.337839
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -38.704
flat angles C4'-P-C4' energy: -42.168
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -65.657
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: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -594.657111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.657111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.657111 (E_RNA)
where:
Base-Base interactions energy: -388.843
where: short stacking energy: -175.616
Base-Backbone interact. energy: -0.620
local terms energy: -205.194048
where:
bonds (distance) C4'-P energy: -41.771
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -40.781
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -54.808
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -546.995542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.995542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.995542 (E_RNA)
where:
Base-Base interactions energy: -366.115
where: short stacking energy: -159.080
Base-Backbone interact. energy: -0.209
local terms energy: -180.671914
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -41.211
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -50.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -535.600477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.600477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.600477 (E_RNA)
where:
Base-Base interactions energy: -362.392
where: short stacking energy: -163.932
Base-Backbone interact. energy: -0.410
local terms energy: -172.798288
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -39.723
flat angles P-C4'-P energy: -32.904
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: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -367.132896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.132896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.132896 (E_RNA)
where:
Base-Base interactions energy: -208.743
where: short stacking energy: -104.151
Base-Backbone interact. energy: -0.439
local terms energy: -157.951118
where:
bonds (distance) C4'-P energy: -40.610
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -371.877613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.877613 (E_RNA)
where:
Base-Base interactions energy: -222.693
where: short stacking energy: -102.911
Base-Backbone interact. energy: -0.570
local terms energy: -148.614490
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -37.072
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -19.565
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -178.442837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.442837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.442837 (E_RNA)
where:
Base-Base interactions energy: -71.551
where: short stacking energy: -46.638
Base-Backbone interact. energy: -0.677
local terms energy: -106.215056
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: 10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -176.919734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.919734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.919734 (E_RNA)
where:
Base-Base interactions energy: -60.309
where: short stacking energy: -41.466
Base-Backbone interact. energy: 0.990
local terms energy: -117.599976
where:
bonds (distance) C4'-P energy: -35.508
bonds (distance) P-C4' energy: -40.689
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: 1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -660.852865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.852865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.852865 (E_RNA)
where:
Base-Base interactions energy: -456.390
where: short stacking energy: -193.271
Base-Backbone interact. energy: -0.012
local terms energy: -204.451109
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -44.568
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -58.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -653.766885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.766885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.766885 (E_RNA)
where:
Base-Base interactions energy: -441.131
where: short stacking energy: -207.277
Base-Backbone interact. energy: -0.300
local terms energy: -212.335844
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -65.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -630.589107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.589107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.589107 (E_RNA)
where:
Base-Base interactions energy: -420.709
where: short stacking energy: -184.782
Base-Backbone interact. energy: -0.479
local terms energy: -209.400887
where:
bonds (distance) C4'-P energy: -35.557
bonds (distance) P-C4' energy: -38.909
flat angles C4'-P-C4' energy: -44.766
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -58.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -607.569533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.569533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.569533 (E_RNA)
where:
Base-Base interactions energy: -404.393
where: short stacking energy: -183.640
Base-Backbone interact. energy: -0.390
local terms energy: -202.786426
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -40.226
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -54.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -560.216504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.216504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.216504 (E_RNA)
where:
Base-Base interactions energy: -366.442
where: short stacking energy: -173.922
Base-Backbone interact. energy: -1.290
local terms energy: -192.484673
where:
bonds (distance) C4'-P energy: -36.739
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -43.620
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -55.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -543.457568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.457568 (E_RNA)
where:
Base-Base interactions energy: -362.034
where: short stacking energy: -159.614
Base-Backbone interact. energy: -0.546
local terms energy: -180.878072
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -34.744
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -52.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -426.417223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.417223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.417223 (E_RNA)
where:
Base-Base interactions energy: -254.011
where: short stacking energy: -122.792
Base-Backbone interact. energy: -0.334
local terms energy: -172.071622
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -38.907
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: 381
Temperature: 1.250000
Total energy: -392.229545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.229545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.229545 (E_RNA)
where:
Base-Base interactions energy: -245.606
where: short stacking energy: -104.446
Base-Backbone interact. energy: 0.240
local terms energy: -146.863768
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -42.913
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -21.250
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: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -181.532210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.532210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.532210 (E_RNA)
where:
Base-Base interactions energy: -71.496
where: short stacking energy: -63.236
Base-Backbone interact. energy: -2.576
local terms energy: -107.460006
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -0.620
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: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -180.209970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.209970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.209970 (E_RNA)
where:
Base-Base interactions energy: -68.280
where: short stacking energy: -47.272
Base-Backbone interact. energy: -1.893
local terms energy: -110.036870
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: 3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -683.381939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.381939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.381939 (E_RNA)
where:
Base-Base interactions energy: -477.027
where: short stacking energy: -192.774
Base-Backbone interact. energy: -1.061
local terms energy: -205.293441
where:
bonds (distance) C4'-P energy: -39.799
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -43.866
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -58.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -653.208686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.208686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.208686 (E_RNA)
where:
Base-Base interactions energy: -446.231
where: short stacking energy: -186.956
Base-Backbone interact. energy: -0.140
local terms energy: -206.838191
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -39.161
flat angles C4'-P-C4' energy: -43.742
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -60.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -614.371763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.371763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.371763 (E_RNA)
where:
Base-Base interactions energy: -407.994
where: short stacking energy: -181.622
Base-Backbone interact. energy: -0.553
local terms energy: -205.825006
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -43.088
flat angles C4'-P-C4' energy: -45.455
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -57.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -595.500699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.500699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.500699 (E_RNA)
where:
Base-Base interactions energy: -387.424
where: short stacking energy: -181.046
Base-Backbone interact. energy: -0.159
local terms energy: -207.917903
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -44.757
flat angles C4'-P-C4' energy: -46.452
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -53.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -549.698972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.698972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.698972 (E_RNA)
where:
Base-Base interactions energy: -364.203
where: short stacking energy: -160.072
Base-Backbone interact. energy: -0.275
local terms energy: -185.220034
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -40.763
flat angles P-C4'-P energy: -23.849
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: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -543.056396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.056396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.056396 (E_RNA)
where:
Base-Base interactions energy: -370.034
where: short stacking energy: -159.956
Base-Backbone interact. energy: -0.069
local terms energy: -172.952678
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -37.456
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -39.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -334.607202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.607202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.607202 (E_RNA)
where:
Base-Base interactions energy: -195.397
where: short stacking energy: -87.449
Base-Backbone interact. energy: -0.469
local terms energy: -138.741122
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -330.004881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.004881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.004881 (E_RNA)
where:
Base-Base interactions energy: -188.123
where: short stacking energy: -85.251
Base-Backbone interact. energy: -0.513
local terms energy: -141.369027
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -36.481
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -200.913252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.913252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.913252 (E_RNA)
where:
Base-Base interactions energy: -64.358
where: short stacking energy: -64.358
Base-Backbone interact. energy: -1.333
local terms energy: -135.222650
where:
bonds (distance) C4'-P energy: -37.527
bonds (distance) P-C4' energy: -43.320
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -156.511306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.511306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.511306 (E_RNA)
where:
Base-Base interactions energy: -51.356
where: short stacking energy: -37.082
Base-Backbone interact. energy: 0.216
local terms energy: -105.372007
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: 5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -675.364907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.364907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.364907 (E_RNA)
where:
Base-Base interactions energy: -460.421
where: short stacking energy: -189.780
Base-Backbone interact. energy: -0.982
local terms energy: -213.962149
where:
bonds (distance) C4'-P energy: -36.175
bonds (distance) P-C4' energy: -39.864
flat angles C4'-P-C4' energy: -45.127
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -66.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -653.192518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.192518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.192518 (E_RNA)
where:
Base-Base interactions energy: -434.206
where: short stacking energy: -194.967
Base-Backbone interact. energy: -0.784
local terms energy: -218.201974
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -60.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -613.623145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.623145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.623145 (E_RNA)
where:
Base-Base interactions energy: -407.168
where: short stacking energy: -188.055
Base-Backbone interact. energy: -0.666
local terms energy: -205.788802
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -39.731
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: -60.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -582.049939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.049939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.049939 (E_RNA)
where:
Base-Base interactions energy: -391.661
where: short stacking energy: -162.884
Base-Backbone interact. energy: -0.693
local terms energy: -189.696599
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -44.513
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -53.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -557.479416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.479416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.479416 (E_RNA)
where:
Base-Base interactions energy: -368.492
where: short stacking energy: -158.628
Base-Backbone interact. energy: -0.193
local terms energy: -188.794851
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -37.958
flat angles C4'-P-C4' energy: -35.674
flat angles P-C4'-P energy: -31.450
tors. eta vs tors. theta energy: -46.297
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: 383
Temperature: 1.150000
Total energy: -537.114701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.114701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.114701 (E_RNA)
where:
Base-Base interactions energy: -369.026
where: short stacking energy: -168.924
Base-Backbone interact. energy: 2.588
local terms energy: -170.676657
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -46.561
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: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -385.614445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.614445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.614445 (E_RNA)
where:
Base-Base interactions energy: -223.917
where: short stacking energy: -101.928
Base-Backbone interact. energy: -0.803
local terms energy: -160.894873
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -45.915
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -375.619281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.619281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.619281 (E_RNA)
where:
Base-Base interactions energy: -234.354
where: short stacking energy: -105.798
Base-Backbone interact. energy: 0.093
local terms energy: -141.357845
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -173.989149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.989149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.989149 (E_RNA)
where:
Base-Base interactions energy: -54.459
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.815
local terms energy: -118.714471
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -43.421
flat angles C4'-P-C4' energy: -35.799
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: 6.658
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: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -186.295426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.295426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.295426 (E_RNA)
where:
Base-Base interactions energy: -64.572
where: short stacking energy: -60.614
Base-Backbone interact. energy: -0.306
local terms energy: -121.417609
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: 6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -666.613706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.613706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.613706 (E_RNA)
where:
Base-Base interactions energy: -457.386
where: short stacking energy: -206.751
Base-Backbone interact. energy: -0.256
local terms energy: -208.971108
where:
bonds (distance) C4'-P energy: -39.845
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -43.487
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -66.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -667.166853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.166853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.166853 (E_RNA)
where:
Base-Base interactions energy: -457.372
where: short stacking energy: -182.872
Base-Backbone interact. energy: -0.936
local terms energy: -208.858872
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -65.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -617.962713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.962713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.962713 (E_RNA)
where:
Base-Base interactions energy: -402.515
where: short stacking energy: -175.395
Base-Backbone interact. energy: -0.099
local terms energy: -215.348160
where:
bonds (distance) C4'-P energy: -39.282
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -59.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -575.974885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.974885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.974885 (E_RNA)
where:
Base-Base interactions energy: -380.584
where: short stacking energy: -159.058
Base-Backbone interact. energy: -0.115
local terms energy: -195.276830
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -34.896
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -31.013
tors. eta vs tors. theta energy: -49.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -563.079992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.079992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.079992 (E_RNA)
where:
Base-Base interactions energy: -380.969
where: short stacking energy: -168.233
Base-Backbone interact. energy: -0.390
local terms energy: -181.720652
where:
bonds (distance) C4'-P energy: -31.069
bonds (distance) P-C4' energy: -35.999
flat angles C4'-P-C4' energy: -41.246
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -46.382
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: 384
Temperature: 1.150000
Total energy: -557.147677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.147677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.147677 (E_RNA)
where:
Base-Base interactions energy: -353.630
where: short stacking energy: -172.117
Base-Backbone interact. energy: -0.622
local terms energy: -202.895426
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -55.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -374.109862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.109862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.109862 (E_RNA)
where:
Base-Base interactions energy: -232.342
where: short stacking energy: -116.902
Base-Backbone interact. energy: 2.882
local terms energy: -144.650719
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -25.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -344.446956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.446956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.446956 (E_RNA)
where:
Base-Base interactions energy: -215.618
where: short stacking energy: -106.096
Base-Backbone interact. energy: -0.884
local terms energy: -127.944734
where:
bonds (distance) C4'-P energy: -32.294
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -192.357969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.357969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.357969 (E_RNA)
where:
Base-Base interactions energy: -65.023
where: short stacking energy: -38.188
Base-Backbone interact. energy: -1.153
local terms energy: -126.181856
where:
bonds (distance) C4'-P energy: -39.494
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: 5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -171.700947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.700947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.700947 (E_RNA)
where:
Base-Base interactions energy: -57.814
where: short stacking energy: -44.588
Base-Backbone interact. energy: 0.939
local terms energy: -114.825982
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: 14.407
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: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -677.953365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.953365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.953365 (E_RNA)
where:
Base-Base interactions energy: -460.472
where: short stacking energy: -199.926
Base-Backbone interact. energy: -0.014
local terms energy: -217.467188
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -45.012
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -62.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -651.484166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.484166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.484166 (E_RNA)
where:
Base-Base interactions energy: -437.241
where: short stacking energy: -186.183
Base-Backbone interact. energy: -0.336
local terms energy: -213.907778
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -38.335
flat angles C4'-P-C4' energy: -41.249
flat angles P-C4'-P energy: -28.357
tors. eta vs tors. theta energy: -61.547
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: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -623.300905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.300905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.300905 (E_RNA)
where:
Base-Base interactions energy: -416.775
where: short stacking energy: -183.358
Base-Backbone interact. energy: 1.207
local terms energy: -207.733282
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -60.137
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -576.084137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.084137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.084137 (E_RNA)
where:
Base-Base interactions energy: -380.094
where: short stacking energy: -174.385
Base-Backbone interact. energy: -0.242
local terms energy: -195.747535
where:
bonds (distance) C4'-P energy: -37.505
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -44.799
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -50.404
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: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -554.995482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.995482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.995482 (E_RNA)
where:
Base-Base interactions energy: -368.609
where: short stacking energy: -138.554
Base-Backbone interact. energy: -0.452
local terms energy: -185.933778
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -42.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -539.483148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.483148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.483148 (E_RNA)
where:
Base-Base interactions energy: -361.181
where: short stacking energy: -153.189
Base-Backbone interact. energy: -0.795
local terms energy: -177.507471
where:
bonds (distance) C4'-P energy: -30.151
bonds (distance) P-C4' energy: -39.101
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -46.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -340.262453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.262453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.262453 (E_RNA)
where:
Base-Base interactions energy: -183.554
where: short stacking energy: -90.412
Base-Backbone interact. energy: -0.554
local terms energy: -156.154646
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -35.807
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -28.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -286.382986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.382986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.382986 (E_RNA)
where:
Base-Base interactions energy: -154.316
where: short stacking energy: -73.911
Base-Backbone interact. energy: 2.441
local terms energy: -134.507963
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -215.857354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.857354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.857354 (E_RNA)
where:
Base-Base interactions energy: -87.949
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.755
local terms energy: -127.154088
where:
bonds (distance) C4'-P energy: -27.721
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -163.290989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.290989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.290989 (E_RNA)
where:
Base-Base interactions energy: -64.742
where: short stacking energy: -51.068
Base-Backbone interact. energy: 2.085
local terms energy: -100.634211
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -668.646329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.646329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.646329 (E_RNA)
where:
Base-Base interactions energy: -459.163
where: short stacking energy: -186.419
Base-Backbone interact. energy: 0.096
local terms energy: -209.579693
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -41.237
flat angles P-C4'-P energy: -30.682
tors. eta vs tors. theta energy: -61.514
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: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -664.431330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.431330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.431330 (E_RNA)
where:
Base-Base interactions energy: -441.015
where: short stacking energy: -202.634
Base-Backbone interact. energy: -0.902
local terms energy: -222.513913
where:
bonds (distance) C4'-P energy: -42.701
bonds (distance) P-C4' energy: -41.893
flat angles C4'-P-C4' energy: -46.973
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -59.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -619.072772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.072772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.072772 (E_RNA)
where:
Base-Base interactions energy: -407.934
where: short stacking energy: -188.122
Base-Backbone interact. energy: -0.814
local terms energy: -210.325092
where:
bonds (distance) C4'-P energy: -39.202
bonds (distance) P-C4' energy: -37.765
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -35.670
tors. eta vs tors. theta energy: -58.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -569.436364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.436364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.436364 (E_RNA)
where:
Base-Base interactions energy: -371.345
where: short stacking energy: -171.361
Base-Backbone interact. energy: -0.015
local terms energy: -198.076101
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -39.930
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -50.588
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -545.249810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.249810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.249810 (E_RNA)
where:
Base-Base interactions energy: -366.898
where: short stacking energy: -159.990
Base-Backbone interact. energy: -0.652
local terms energy: -177.700074
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -44.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -576.314622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.314622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.314622 (E_RNA)
where:
Base-Base interactions energy: -388.945
where: short stacking energy: -160.513
Base-Backbone interact. energy: -0.524
local terms energy: -186.845621
where:
bonds (distance) C4'-P energy: -35.899
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -45.889
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -47.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -323.460993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.460993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.460993 (E_RNA)
where:
Base-Base interactions energy: -167.510
where: short stacking energy: -97.927
Base-Backbone interact. energy: -2.226
local terms energy: -153.724334
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -37.846
flat angles C4'-P-C4' energy: -38.576
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -314.135320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.135320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.135320 (E_RNA)
where:
Base-Base interactions energy: -168.711
where: short stacking energy: -92.006
Base-Backbone interact. energy: -0.101
local terms energy: -145.322782
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -39.472
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -28.038
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -187.899541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.899541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.899541 (E_RNA)
where:
Base-Base interactions energy: -85.149
where: short stacking energy: -43.638
Base-Backbone interact. energy: -0.018
local terms energy: -102.732351
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: 15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -167.488941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.488941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.488941 (E_RNA)
where:
Base-Base interactions energy: -63.643
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.386
local terms energy: -103.459756
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -665.863940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.863940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.863940 (E_RNA)
where:
Base-Base interactions energy: -446.436
where: short stacking energy: -191.212
Base-Backbone interact. energy: -1.436
local terms energy: -217.991920
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -37.871
flat angles C4'-P-C4' energy: -48.574
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -61.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -660.952575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.952575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.952575 (E_RNA)
where:
Base-Base interactions energy: -451.231
where: short stacking energy: -198.485
Base-Backbone interact. energy: -0.882
local terms energy: -208.839736
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -60.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -623.732947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.732947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.732947 (E_RNA)
where:
Base-Base interactions energy: -406.054
where: short stacking energy: -179.566
Base-Backbone interact. energy: -2.513
local terms energy: -215.165803
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -47.671
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -28.151
tors. eta vs tors. theta energy: -61.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -597.126296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.126296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.126296 (E_RNA)
where:
Base-Base interactions energy: -391.322
where: short stacking energy: -188.233
Base-Backbone interact. energy: -0.038
local terms energy: -205.765700
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -58.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -570.670264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.670264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.670264 (E_RNA)
where:
Base-Base interactions energy: -384.396
where: short stacking energy: -177.068
Base-Backbone interact. energy: -0.828
local terms energy: -185.446003
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -54.667
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: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -530.055226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.055226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.055226 (E_RNA)
where:
Base-Base interactions energy: -354.446
where: short stacking energy: -157.045
Base-Backbone interact. energy: 4.562
local terms energy: -180.172032
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -39.963
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -41.905
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: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -334.281073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.281073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.281073 (E_RNA)
where:
Base-Base interactions energy: -182.261
where: short stacking energy: -107.569
Base-Backbone interact. energy: 1.105
local terms energy: -153.125639
where:
bonds (distance) C4'-P energy: -39.097
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -25.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -333.829267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.829267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.829267 (E_RNA)
where:
Base-Base interactions energy: -182.379
where: short stacking energy: -91.125
Base-Backbone interact. energy: 0.796
local terms energy: -152.245518
where:
bonds (distance) C4'-P energy: -40.156
bonds (distance) P-C4' energy: -37.449
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -16.459
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: 387
Temperature: 1.300000
Total energy: -180.264615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.264615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.264615 (E_RNA)
where:
Base-Base interactions energy: -73.986
where: short stacking energy: -43.855
Base-Backbone interact. energy: -1.061
local terms energy: -105.217492
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: 13.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -185.532793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.532793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.532793 (E_RNA)
where:
Base-Base interactions energy: -56.469
where: short stacking energy: -55.944
Base-Backbone interact. energy: -0.319
local terms energy: -128.745045
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -40.551
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -668.790470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.790470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.790470 (E_RNA)
where:
Base-Base interactions energy: -459.784
where: short stacking energy: -199.168
Base-Backbone interact. energy: -0.445
local terms energy: -208.561953
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -39.495
flat angles C4'-P-C4' energy: -43.470
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -57.973
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: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -667.994159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.994159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.994159 (E_RNA)
where:
Base-Base interactions energy: -449.377
where: short stacking energy: -185.716
Base-Backbone interact. energy: -0.755
local terms energy: -217.862657
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -46.732
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -60.910
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: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -623.113073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.113073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.113073 (E_RNA)
where:
Base-Base interactions energy: -410.756
where: short stacking energy: -174.524
Base-Backbone interact. energy: -1.238
local terms energy: -211.119414
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -43.966
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -64.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -576.402888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.402888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.402888 (E_RNA)
where:
Base-Base interactions energy: -389.363
where: short stacking energy: -172.986
Base-Backbone interact. energy: -1.857
local terms energy: -185.182528
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -40.531
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -58.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -567.914946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.914946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.914946 (E_RNA)
where:
Base-Base interactions energy: -381.491
where: short stacking energy: -169.038
Base-Backbone interact. energy: -0.813
local terms energy: -185.611714
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -38.333
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -47.785
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: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -480.797580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.797580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.797580 (E_RNA)
where:
Base-Base interactions energy: -300.157
where: short stacking energy: -115.766
Base-Backbone interact. energy: -1.205
local terms energy: -179.435767
where:
bonds (distance) C4'-P energy: -41.019
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -35.123
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -31.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -379.644424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.644424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.644424 (E_RNA)
where:
Base-Base interactions energy: -221.563
where: short stacking energy: -105.259
Base-Backbone interact. energy: -1.434
local terms energy: -156.647969
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -28.446
tors. eta vs tors. theta energy: -23.295
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: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -305.056285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.056285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.056285 (E_RNA)
where:
Base-Base interactions energy: -175.784
where: short stacking energy: -87.971
Base-Backbone interact. energy: -0.822
local terms energy: -128.450841
where:
bonds (distance) C4'-P energy: -38.282
bonds (distance) P-C4' energy: -32.858
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -6.453
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: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -192.846111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.846111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.846111 (E_RNA)
where:
Base-Base interactions energy: -94.255
where: short stacking energy: -65.615
Base-Backbone interact. energy: 2.194
local terms energy: -100.785094
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -171.450886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.450886 (E_RNA)
where:
Base-Base interactions energy: -56.354
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.517
local terms energy: -114.580063
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -41.145
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: 4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -673.755333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.755333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.755333 (E_RNA)
where:
Base-Base interactions energy: -444.216
where: short stacking energy: -204.124
Base-Backbone interact. energy: -0.218
local terms energy: -229.320830
where:
bonds (distance) C4'-P energy: -43.082
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -31.920
tors. eta vs tors. theta energy: -69.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -662.705046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.705046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.705046 (E_RNA)
where:
Base-Base interactions energy: -455.082
where: short stacking energy: -193.373
Base-Backbone interact. energy: 0.225
local terms energy: -207.848434
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -28.429
tors. eta vs tors. theta energy: -61.816
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: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -619.269469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.269469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.269469 (E_RNA)
where:
Base-Base interactions energy: -417.104
where: short stacking energy: -182.140
Base-Backbone interact. energy: 1.376
local terms energy: -203.540924
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -35.135
flat angles P-C4'-P energy: -29.204
tors. eta vs tors. theta energy: -62.464
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: 389
Temperature: 1.050000
Total energy: -572.994867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.994867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.994867 (E_RNA)
where:
Base-Base interactions energy: -389.506
where: short stacking energy: -171.021
Base-Backbone interact. energy: -0.222
local terms energy: -183.266955
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -40.877
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -48.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -563.232296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.232296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.232296 (E_RNA)
where:
Base-Base interactions energy: -372.826
where: short stacking energy: -173.049
Base-Backbone interact. energy: -0.372
local terms energy: -190.034126
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: -46.188
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: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -497.241957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.241957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.241957 (E_RNA)
where:
Base-Base interactions energy: -344.156
where: short stacking energy: -142.773
Base-Backbone interact. energy: 0.696
local terms energy: -153.781941
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -384.584363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.584363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.584363 (E_RNA)
where:
Base-Base interactions energy: -237.780
where: short stacking energy: -99.688
Base-Backbone interact. energy: 2.056
local terms energy: -148.860508
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -37.407
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -268.295555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.295555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.295555 (E_RNA)
where:
Base-Base interactions energy: -131.315
where: short stacking energy: -79.060
Base-Backbone interact. energy: -0.683
local terms energy: -136.298165
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -184.782469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.782469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.782469 (E_RNA)
where:
Base-Base interactions energy: -81.433
where: short stacking energy: -40.151
Base-Backbone interact. energy: 2.444
local terms energy: -105.793402
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -35.585
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: 2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -168.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.859216 (E_RNA)
where:
Base-Base interactions energy: -68.257
where: short stacking energy: -68.062
Base-Backbone interact. energy: -0.428
local terms energy: -100.174271
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -681.266300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.266300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.266300 (E_RNA)
where:
Base-Base interactions energy: -478.309
where: short stacking energy: -194.169
Base-Backbone interact. energy: -0.626
local terms energy: -202.332139
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -37.140
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -60.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -662.391634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.391634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.391634 (E_RNA)
where:
Base-Base interactions energy: -444.990
where: short stacking energy: -191.790
Base-Backbone interact. energy: -0.624
local terms energy: -216.777024
where:
bonds (distance) C4'-P energy: -40.406
bonds (distance) P-C4' energy: -41.308
flat angles C4'-P-C4' energy: -41.443
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -60.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -586.417076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.417076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.417076 (E_RNA)
where:
Base-Base interactions energy: -390.053
where: short stacking energy: -185.428
Base-Backbone interact. energy: -0.980
local terms energy: -195.383774
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: -60.873
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: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -617.034067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.034067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.034067 (E_RNA)
where:
Base-Base interactions energy: -409.032
where: short stacking energy: -183.123
Base-Backbone interact. energy: 0.585
local terms energy: -208.587394
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -37.845
flat angles C4'-P-C4' energy: -42.830
flat angles P-C4'-P energy: -29.507
tors. eta vs tors. theta energy: -62.184
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: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -578.846050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.846050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.846050 (E_RNA)
where:
Base-Base interactions energy: -393.120
where: short stacking energy: -159.063
Base-Backbone interact. energy: -0.353
local terms energy: -185.373551
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -55.459
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: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -516.979371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.979371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.979371 (E_RNA)
where:
Base-Base interactions energy: -337.329
where: short stacking energy: -145.837
Base-Backbone interact. energy: -0.401
local terms energy: -179.249936
where:
bonds (distance) C4'-P energy: -41.080
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -42.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -370.944038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.944038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.944038 (E_RNA)
where:
Base-Base interactions energy: -218.365
where: short stacking energy: -118.307
Base-Backbone interact. energy: -0.791
local terms energy: -151.787370
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -25.232
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: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -248.635613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.635613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.635613 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -71.777
Base-Backbone interact. energy: -0.302
local terms energy: -122.043132
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -175.284132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.284132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.284132 (E_RNA)
where:
Base-Base interactions energy: -50.370
where: short stacking energy: -45.298
Base-Backbone interact. energy: -0.283
local terms energy: -124.631962
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -42.224
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: 4.609
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: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -167.697336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.697336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.697336 (E_RNA)
where:
Base-Base interactions energy: -55.206
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.747
local terms energy: -111.745080
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: 1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -676.384057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.384057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.384057 (E_RNA)
where:
Base-Base interactions energy: -467.855
where: short stacking energy: -193.156
Base-Backbone interact. energy: -0.253
local terms energy: -208.275985
where:
bonds (distance) C4'-P energy: -36.692
bonds (distance) P-C4' energy: -40.399
flat angles C4'-P-C4' energy: -47.334
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -57.004
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: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -659.785813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.785813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.785813 (E_RNA)
where:
Base-Base interactions energy: -445.894
where: short stacking energy: -196.827
Base-Backbone interact. energy: -0.345
local terms energy: -213.546142
where:
bonds (distance) C4'-P energy: -35.589
bonds (distance) P-C4' energy: -38.243
flat angles C4'-P-C4' energy: -42.616
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -66.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -609.925462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.925462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.925462 (E_RNA)
where:
Base-Base interactions energy: -402.676
where: short stacking energy: -184.822
Base-Backbone interact. energy: -0.393
local terms energy: -206.855964
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -57.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -610.995515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.995515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.995515 (E_RNA)
where:
Base-Base interactions energy: -424.730
where: short stacking energy: -175.733
Base-Backbone interact. energy: -1.366
local terms energy: -184.899533
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -35.633
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -60.944
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: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -561.763218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.763218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.763218 (E_RNA)
where:
Base-Base interactions energy: -388.217
where: short stacking energy: -164.480
Base-Backbone interact. energy: -0.788
local terms energy: -172.758126
where:
bonds (distance) C4'-P energy: -27.979
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -45.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -539.858599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.858599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.858599 (E_RNA)
where:
Base-Base interactions energy: -343.026
where: short stacking energy: -147.924
Base-Backbone interact. energy: -0.342
local terms energy: -196.490461
where:
bonds (distance) C4'-P energy: -40.502
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -38.789
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: -48.513
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: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -366.056943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.056943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.056943 (E_RNA)
where:
Base-Base interactions energy: -216.350
where: short stacking energy: -120.444
Base-Backbone interact. energy: 0.881
local terms energy: -150.588519
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -38.047
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -30.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -240.361341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.361341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.361341 (E_RNA)
where:
Base-Base interactions energy: -126.315
where: short stacking energy: -81.875
Base-Backbone interact. energy: -1.070
local terms energy: -112.975988
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -4.849
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: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -175.762410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762410 (E_RNA)
where:
Base-Base interactions energy: -66.235
where: short stacking energy: -48.894
Base-Backbone interact. energy: -0.407
local terms energy: -109.120477
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -17.428
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: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -159.252218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.252218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.252218 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -40.472
Base-Backbone interact. energy: -1.143
local terms energy: -114.859619
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: 7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -661.819982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.819982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.819982 (E_RNA)
where:
Base-Base interactions energy: -444.644
where: short stacking energy: -209.360
Base-Backbone interact. energy: 0.660
local terms energy: -217.835991
where:
bonds (distance) C4'-P energy: -37.252
bonds (distance) P-C4' energy: -42.178
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -62.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -654.524158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.524158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.524158 (E_RNA)
where:
Base-Base interactions energy: -444.874
where: short stacking energy: -168.490
Base-Backbone interact. energy: -0.335
local terms energy: -209.315306
where:
bonds (distance) C4'-P energy: -39.549
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -43.651
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -57.358
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: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -626.681835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.681835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.681835 (E_RNA)
where:
Base-Base interactions energy: -413.087
where: short stacking energy: -184.614
Base-Backbone interact. energy: -0.380
local terms energy: -213.215173
where:
bonds (distance) C4'-P energy: -36.680
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -571.574722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.574722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.574722 (E_RNA)
where:
Base-Base interactions energy: -381.904
where: short stacking energy: -174.414
Base-Backbone interact. energy: 0.570
local terms energy: -190.240556
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -575.618984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.618984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.618984 (E_RNA)
where:
Base-Base interactions energy: -397.501
where: short stacking energy: -162.185
Base-Backbone interact. energy: -0.677
local terms energy: -177.440763
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -48.648
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: 392
Temperature: 1.150000
Total energy: -533.802379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.802379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.802379 (E_RNA)
where:
Base-Base interactions energy: -345.802
where: short stacking energy: -152.059
Base-Backbone interact. energy: -0.340
local terms energy: -187.660634
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -45.445
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: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -389.107834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.107834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.107834 (E_RNA)
where:
Base-Base interactions energy: -222.075
where: short stacking energy: -116.587
Base-Backbone interact. energy: 0.839
local terms energy: -167.871545
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -39.390
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -200.244280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.244280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.244280 (E_RNA)
where:
Base-Base interactions energy: -74.592
where: short stacking energy: -46.857
Base-Backbone interact. energy: -1.342
local terms energy: -124.310961
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -5.713
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: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -207.507794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507794 (E_RNA)
where:
Base-Base interactions energy: -82.693
where: short stacking energy: -50.388
Base-Backbone interact. energy: -1.099
local terms energy: -123.715676
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -33.458
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -188.867010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.867010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867010 (E_RNA)
where:
Base-Base interactions energy: -73.576
where: short stacking energy: -42.396
Base-Backbone interact. energy: -0.738
local terms energy: -114.553184
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: 4.387
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: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -677.906200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.906200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.906200 (E_RNA)
where:
Base-Base interactions energy: -451.012
where: short stacking energy: -209.539
Base-Backbone interact. energy: -0.253
local terms energy: -226.640660
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -46.457
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -64.736
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -651.238597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.238597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.238597 (E_RNA)
where:
Base-Base interactions energy: -451.233
where: short stacking energy: -174.587
Base-Backbone interact. energy: -0.998
local terms energy: -199.007355
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -43.976
flat angles C4'-P-C4' energy: -39.750
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -54.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -634.295124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.295124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.295124 (E_RNA)
where:
Base-Base interactions energy: -416.265
where: short stacking energy: -195.008
Base-Backbone interact. energy: -0.541
local terms energy: -217.489213
where:
bonds (distance) C4'-P energy: -40.593
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -67.567
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: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -596.605887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.605887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.605887 (E_RNA)
where:
Base-Base interactions energy: -410.782
where: short stacking energy: -169.823
Base-Backbone interact. energy: -0.531
local terms energy: -185.293303
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -33.276
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -50.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -560.640423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.640423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.640423 (E_RNA)
where:
Base-Base interactions energy: -359.813
where: short stacking energy: -162.719
Base-Backbone interact. energy: -0.761
local terms energy: -200.066507
where:
bonds (distance) C4'-P energy: -38.518
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -42.285
flat angles P-C4'-P energy: -29.723
tors. eta vs tors. theta energy: -54.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -540.354621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.354621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.354621 (E_RNA)
where:
Base-Base interactions energy: -347.868
where: short stacking energy: -160.378
Base-Backbone interact. energy: 0.369
local terms energy: -192.856373
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -38.148
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -50.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -424.801567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.801567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.801567 (E_RNA)
where:
Base-Base interactions energy: -262.463
where: short stacking energy: -120.950
Base-Backbone interact. energy: -0.404
local terms energy: -161.933862
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -27.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -256.406158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.406158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.406158 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -72.861
Base-Backbone interact. energy: 1.293
local terms energy: -132.531720
where:
bonds (distance) C4'-P energy: -40.626
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -36.408
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -6.891
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: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -179.898970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.898970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.898970 (E_RNA)
where:
Base-Base interactions energy: -57.921
where: short stacking energy: -40.597
Base-Backbone interact. energy: 1.825
local terms energy: -123.803408
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -200.542208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542208 (E_RNA)
where:
Base-Base interactions energy: -71.713
where: short stacking energy: -44.465
Base-Backbone interact. energy: -0.229
local terms energy: -128.599821
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -15.959
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: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -674.219462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.219462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.219462 (E_RNA)
where:
Base-Base interactions energy: -466.548
where: short stacking energy: -186.282
Base-Backbone interact. energy: -0.291
local terms energy: -207.380514
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -58.355
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: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -655.060343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.060343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.060343 (E_RNA)
where:
Base-Base interactions energy: -442.512
where: short stacking energy: -199.084
Base-Backbone interact. energy: -1.564
local terms energy: -210.984673
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -45.148
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -65.433
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: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -640.820003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.820003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.820003 (E_RNA)
where:
Base-Base interactions energy: -435.704
where: short stacking energy: -195.994
Base-Backbone interact. energy: -1.022
local terms energy: -204.093322
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -42.389
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -65.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -602.704041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.704041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.704041 (E_RNA)
where:
Base-Base interactions energy: -392.080
where: short stacking energy: -175.755
Base-Backbone interact. energy: -0.045
local terms energy: -210.578837
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -40.251
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -58.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -567.912440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.912440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.912440 (E_RNA)
where:
Base-Base interactions energy: -386.216
where: short stacking energy: -181.892
Base-Backbone interact. energy: -0.413
local terms energy: -181.284112
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -54.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -561.769434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.769434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.769434 (E_RNA)
where:
Base-Base interactions energy: -370.210
where: short stacking energy: -159.259
Base-Backbone interact. energy: -1.059
local terms energy: -190.500314
where:
bonds (distance) C4'-P energy: -41.551
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -52.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -414.694752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.694752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.694752 (E_RNA)
where:
Base-Base interactions energy: -256.355
where: short stacking energy: -129.569
Base-Backbone interact. energy: -0.581
local terms energy: -157.758626
where:
bonds (distance) C4'-P energy: -29.567
bonds (distance) P-C4' energy: -40.114
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -241.305324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.305324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.305324 (E_RNA)
where:
Base-Base interactions energy: -118.681
where: short stacking energy: -76.459
Base-Backbone interact. energy: 1.546
local terms energy: -124.171226
where:
bonds (distance) C4'-P energy: -34.955
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -15.755
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: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -184.568554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.568554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.568554 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -47.060
Base-Backbone interact. energy: -0.052
local terms energy: -133.562212
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -39.926
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -174.921668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.921668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.921668 (E_RNA)
where:
Base-Base interactions energy: -71.540
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.874
local terms energy: -102.507977
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -30.575
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -681.090085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.090085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.090085 (E_RNA)
where:
Base-Base interactions energy: -459.320
where: short stacking energy: -180.358
Base-Backbone interact. energy: -0.284
local terms energy: -221.486285
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -45.889
flat angles C4'-P-C4' energy: -41.837
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -59.902
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: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -670.587857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.587857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.587857 (E_RNA)
where:
Base-Base interactions energy: -452.663
where: short stacking energy: -198.461
Base-Backbone interact. energy: -0.514
local terms energy: -217.410461
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -43.066
flat angles C4'-P-C4' energy: -43.743
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -67.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -637.461123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.461123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.461123 (E_RNA)
where:
Base-Base interactions energy: -436.074
where: short stacking energy: -194.524
Base-Backbone interact. energy: 0.545
local terms energy: -201.932147
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -59.400
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: 395
Temperature: 1.050000
Total energy: -607.336638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.336638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.336638 (E_RNA)
where:
Base-Base interactions energy: -404.724
where: short stacking energy: -182.683
Base-Backbone interact. energy: -0.188
local terms energy: -202.423802
where:
bonds (distance) C4'-P energy: -37.835
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -58.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -574.174676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.174676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.174676 (E_RNA)
where:
Base-Base interactions energy: -390.678
where: short stacking energy: -170.798
Base-Backbone interact. energy: -0.543
local terms energy: -182.954021
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -42.284
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -47.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -543.172091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.172091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.172091 (E_RNA)
where:
Base-Base interactions energy: -363.435
where: short stacking energy: -157.919
Base-Backbone interact. energy: -0.146
local terms energy: -179.591494
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -38.407
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -45.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -419.797058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.797058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.797058 (E_RNA)
where:
Base-Base interactions energy: -265.274
where: short stacking energy: -112.449
Base-Backbone interact. energy: 0.218
local terms energy: -154.740266
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -29.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -214.725537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725537 (E_RNA)
where:
Base-Base interactions energy: -80.063
where: short stacking energy: -61.684
Base-Backbone interact. energy: -1.341
local terms energy: -133.321919
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -192.105429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105429 (E_RNA)
where:
Base-Base interactions energy: -79.033
where: short stacking energy: -40.937
Base-Backbone interact. energy: 0.408
local terms energy: -113.480241
where:
bonds (distance) C4'-P energy: -41.853
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -14.991
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: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -187.507149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.507149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.507149 (E_RNA)
where:
Base-Base interactions energy: -70.856
where: short stacking energy: -49.411
Base-Backbone interact. energy: -1.266
local terms energy: -115.385167
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -680.389071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.389071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.389071 (E_RNA)
where:
Base-Base interactions energy: -485.753
where: short stacking energy: -191.540
Base-Backbone interact. energy: 0.887
local terms energy: -195.523136
where:
bonds (distance) C4'-P energy: -38.209
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -42.754
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -52.296
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -648.196965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.196965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.196965 (E_RNA)
where:
Base-Base interactions energy: -434.829
where: short stacking energy: -196.665
Base-Backbone interact. energy: -1.802
local terms energy: -211.565789
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -49.041
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -62.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -643.665318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.665318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.665318 (E_RNA)
where:
Base-Base interactions energy: -430.218
where: short stacking energy: -203.014
Base-Backbone interact. energy: -2.452
local terms energy: -210.996202
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -37.156
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -65.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -582.462824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.462824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.462824 (E_RNA)
where:
Base-Base interactions energy: -382.522
where: short stacking energy: -158.887
Base-Backbone interact. energy: 0.202
local terms energy: -200.142872
where:
bonds (distance) C4'-P energy: -42.422
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -32.755
tors. eta vs tors. theta energy: -44.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -583.895599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.895599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.895599 (E_RNA)
where:
Base-Base interactions energy: -389.674
where: short stacking energy: -177.031
Base-Backbone interact. energy: -1.208
local terms energy: -193.014205
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -37.217
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -55.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -541.789411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.789411 (E_RNA)
where:
Base-Base interactions energy: -366.668
where: short stacking energy: -160.137
Base-Backbone interact. energy: -0.144
local terms energy: -174.977187
where:
bonds (distance) C4'-P energy: -32.428
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -52.139
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: 396
Temperature: 1.200000
Total energy: -438.343346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.343346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.343346 (E_RNA)
where:
Base-Base interactions energy: -264.557
where: short stacking energy: -126.089
Base-Backbone interact. energy: -0.478
local terms energy: -173.308370
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -36.100
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -198.830005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.830005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.830005 (E_RNA)
where:
Base-Base interactions energy: -83.544
where: short stacking energy: -71.207
Base-Backbone interact. energy: -1.809
local terms energy: -113.476769
where:
bonds (distance) C4'-P energy: -34.030
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -195.307586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.307586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.307586 (E_RNA)
where:
Base-Base interactions energy: -70.791
where: short stacking energy: -52.830
Base-Backbone interact. energy: 3.024
local terms energy: -127.540315
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -1.289
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: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -170.672722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.672722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.672722 (E_RNA)
where:
Base-Base interactions energy: -72.773
where: short stacking energy: -53.140
Base-Backbone interact. energy: 5.337
local terms energy: -103.237089
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -40.658
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -660.935829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.935829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.935829 (E_RNA)
where:
Base-Base interactions energy: -462.481
where: short stacking energy: -169.211
Base-Backbone interact. energy: 2.401
local terms energy: -200.855877
where:
bonds (distance) C4'-P energy: -38.712
bonds (distance) P-C4' energy: -43.162
flat angles C4'-P-C4' energy: -43.808
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -50.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -677.567726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.567726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.567726 (E_RNA)
where:
Base-Base interactions energy: -454.981
where: short stacking energy: -212.680
Base-Backbone interact. energy: -0.646
local terms energy: -221.940670
where:
bonds (distance) C4'-P energy: -41.094
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -40.891
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -65.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -652.303419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.303419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.303419 (E_RNA)
where:
Base-Base interactions energy: -441.195
where: short stacking energy: -196.948
Base-Backbone interact. energy: -1.370
local terms energy: -209.738086
where:
bonds (distance) C4'-P energy: -37.493
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -26.828
tors. eta vs tors. theta energy: -60.625
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: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -567.242646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.242646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.242646 (E_RNA)
where:
Base-Base interactions energy: -370.692
where: short stacking energy: -161.810
Base-Backbone interact. energy: -0.763
local terms energy: -195.787620
where:
bonds (distance) C4'-P energy: -46.878
bonds (distance) P-C4' energy: -40.573
flat angles C4'-P-C4' energy: -40.147
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -43.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -578.139581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.139581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.139581 (E_RNA)
where:
Base-Base interactions energy: -382.416
where: short stacking energy: -171.782
Base-Backbone interact. energy: -0.853
local terms energy: -194.870454
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -53.997
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: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -540.760572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.760572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.760572 (E_RNA)
where:
Base-Base interactions energy: -361.683
where: short stacking energy: -159.603
Base-Backbone interact. energy: -0.639
local terms energy: -178.438003
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -31.076
flat angles P-C4'-P energy: -32.192
tors. eta vs tors. theta energy: -51.300
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: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -421.981134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.981134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.981134 (E_RNA)
where:
Base-Base interactions energy: -261.000
where: short stacking energy: -107.956
Base-Backbone interact. energy: -0.620
local terms energy: -160.360473
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -198.443098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.443098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.443098 (E_RNA)
where:
Base-Base interactions energy: -89.625
where: short stacking energy: -73.620
Base-Backbone interact. energy: 0.353
local terms energy: -109.170696
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -33.500
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -189.871197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.871197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.871197 (E_RNA)
where:
Base-Base interactions energy: -65.989
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.607
local terms energy: -123.274934
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -8.776
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: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -171.919139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.919139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.919139 (E_RNA)
where:
Base-Base interactions energy: -71.422
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.287
local terms energy: -100.210548
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: 1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -679.628669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.628669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.628669 (E_RNA)
where:
Base-Base interactions energy: -458.646
where: short stacking energy: -201.786
Base-Backbone interact. energy: -0.818
local terms energy: -220.164535
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -66.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -662.592564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.592564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.592564 (E_RNA)
where:
Base-Base interactions energy: -445.514
where: short stacking energy: -182.204
Base-Backbone interact. energy: -0.595
local terms energy: -216.483350
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -44.087
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -53.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -622.636608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.636608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.636608 (E_RNA)
where:
Base-Base interactions energy: -420.143
where: short stacking energy: -175.620
Base-Backbone interact. energy: -0.226
local terms energy: -202.268336
where:
bonds (distance) C4'-P energy: -32.202
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -40.831
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -60.332
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: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -575.076360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.076360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.076360 (E_RNA)
where:
Base-Base interactions energy: -372.974
where: short stacking energy: -158.400
Base-Backbone interact. energy: -0.071
local terms energy: -202.031211
where:
bonds (distance) C4'-P energy: -39.315
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -48.246
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -48.773
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: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -567.424778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.424778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.424778 (E_RNA)
where:
Base-Base interactions energy: -370.825
where: short stacking energy: -168.615
Base-Backbone interact. energy: -0.515
local terms energy: -196.084136
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -53.164
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -529.858545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.858545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.858545 (E_RNA)
where:
Base-Base interactions energy: -359.394
where: short stacking energy: -164.511
Base-Backbone interact. energy: 1.165
local terms energy: -171.630186
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -50.576
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: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -434.228164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.228164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.228164 (E_RNA)
where:
Base-Base interactions energy: -290.386
where: short stacking energy: -141.299
Base-Backbone interact. energy: -0.816
local terms energy: -143.026150
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -42.038
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: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -183.329791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.329791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.329791 (E_RNA)
where:
Base-Base interactions energy: -74.337
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.696
local terms energy: -108.297269
where:
bonds (distance) C4'-P energy: -33.367
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -181.143558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.143558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.143558 (E_RNA)
where:
Base-Base interactions energy: -66.920
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.798
local terms energy: -113.425732
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -37.668
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: 12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -179.633979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.633979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.633979 (E_RNA)
where:
Base-Base interactions energy: -65.461
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.381
local terms energy: -113.791709
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: 1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -670.089270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.089270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.089270 (E_RNA)
where:
Base-Base interactions energy: -453.711
where: short stacking energy: -208.883
Base-Backbone interact. energy: 2.201
local terms energy: -218.578429
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -47.085
flat angles C4'-P-C4' energy: -42.034
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -57.770
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -649.276668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.276668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.276668 (E_RNA)
where:
Base-Base interactions energy: -437.395
where: short stacking energy: -188.328
Base-Backbone interact. energy: -0.502
local terms energy: -211.380020
where:
bonds (distance) C4'-P energy: -35.530
bonds (distance) P-C4' energy: -42.593
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -29.049
tors. eta vs tors. theta energy: -61.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -632.377641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.377641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.377641 (E_RNA)
where:
Base-Base interactions energy: -422.835
where: short stacking energy: -197.069
Base-Backbone interact. energy: -0.560
local terms energy: -208.982460
where:
bonds (distance) C4'-P energy: -40.629
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -38.125
flat angles P-C4'-P energy: -31.261
tors. eta vs tors. theta energy: -62.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -583.049032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.049032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.049032 (E_RNA)
where:
Base-Base interactions energy: -385.311
where: short stacking energy: -176.379
Base-Backbone interact. energy: 1.230
local terms energy: -198.968869
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -29.037
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -568.156255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.156255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.156255 (E_RNA)
where:
Base-Base interactions energy: -379.285
where: short stacking energy: -147.919
Base-Backbone interact. energy: -0.139
local terms energy: -188.732265
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -42.086
flat angles C4'-P-C4' energy: -39.406
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -46.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -550.222691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.222691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.222691 (E_RNA)
where:
Base-Base interactions energy: -348.173
where: short stacking energy: -163.159
Base-Backbone interact. energy: -0.771
local terms energy: -201.279091
where:
bonds (distance) C4'-P energy: -43.336
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -42.815
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: -45.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -421.761027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.761027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.761027 (E_RNA)
where:
Base-Base interactions energy: -264.244
where: short stacking energy: -121.932
Base-Backbone interact. energy: -0.417
local terms energy: -157.099909
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -35.765
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -32.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -195.524140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.524140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.524140 (E_RNA)
where:
Base-Base interactions energy: -74.127
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.218
local terms energy: -121.178934
where:
bonds (distance) C4'-P energy: -32.859
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -182.240779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.240779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240779 (E_RNA)
where:
Base-Base interactions energy: -53.040
where: short stacking energy: -52.259
Base-Backbone interact. energy: 1.477
local terms energy: -130.678180
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -39.816
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -164.050354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.050354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.050354 (E_RNA)
where:
Base-Base interactions energy: -64.512
where: short stacking energy: -37.684
Base-Backbone interact. energy: -0.289
local terms energy: -99.248983
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: 9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -669.737059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.737059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.737059 (E_RNA)
where:
Base-Base interactions energy: -463.181
where: short stacking energy: -201.404
Base-Backbone interact. energy: -0.227
local terms energy: -206.328975
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -41.387
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -60.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -651.354651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.354651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.354651 (E_RNA)
where:
Base-Base interactions energy: -444.362
where: short stacking energy: -203.875
Base-Backbone interact. energy: 2.790
local terms energy: -209.782641
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -45.599
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -63.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -616.505792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.505792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.505792 (E_RNA)
where:
Base-Base interactions energy: -401.303
where: short stacking energy: -173.658
Base-Backbone interact. energy: -0.221
local terms energy: -214.982169
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -44.113
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -62.610
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: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -578.222826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.222826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.222826 (E_RNA)
where:
Base-Base interactions energy: -378.715
where: short stacking energy: -161.813
Base-Backbone interact. energy: -0.684
local terms energy: -198.823903
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -47.583
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -50.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -564.916092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.916092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.916092 (E_RNA)
where:
Base-Base interactions energy: -374.206
where: short stacking energy: -173.836
Base-Backbone interact. energy: -0.652
local terms energy: -190.058447
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -53.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -559.759916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.759916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.759916 (E_RNA)
where:
Base-Base interactions energy: -368.835
where: short stacking energy: -158.885
Base-Backbone interact. energy: -0.557
local terms energy: -190.367604
where:
bonds (distance) C4'-P energy: -38.552
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -46.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -432.127607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.127607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.127607 (E_RNA)
where:
Base-Base interactions energy: -270.928
where: short stacking energy: -122.451
Base-Backbone interact. energy: 4.410
local terms energy: -165.610063
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -42.976
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -34.259
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: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -188.082396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.082396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.082396 (E_RNA)
where:
Base-Base interactions energy: -48.123
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.922
local terms energy: -139.037615
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -193.535354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.535354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.535354 (E_RNA)
where:
Base-Base interactions energy: -74.899
where: short stacking energy: -52.725
Base-Backbone interact. energy: 1.021
local terms energy: -119.657087
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -29.370
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -172.226325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.226325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.226325 (E_RNA)
where:
Base-Base interactions energy: -67.463
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.191
local terms energy: -104.571846
where:
bonds (distance) C4'-P energy: -25.076
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -667.460206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.460206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.460206 (E_RNA)
where:
Base-Base interactions energy: -446.389
where: short stacking energy: -181.016
Base-Backbone interact. energy: -0.331
local terms energy: -220.740268
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -46.595
flat angles P-C4'-P energy: -33.774
tors. eta vs tors. theta energy: -60.267
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -660.210323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.210323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.210323 (E_RNA)
where:
Base-Base interactions energy: -436.316
where: short stacking energy: -199.822
Base-Backbone interact. energy: 0.030
local terms energy: -223.924506
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -42.373
flat angles C4'-P-C4' energy: -46.321
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -62.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -619.160721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.160721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.160721 (E_RNA)
where:
Base-Base interactions energy: -415.182
where: short stacking energy: -176.459
Base-Backbone interact. energy: -0.936
local terms energy: -203.042886
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -36.348
flat angles C4'-P-C4' energy: -44.283
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -58.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -582.682157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.682157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.682157 (E_RNA)
where:
Base-Base interactions energy: -373.613
where: short stacking energy: -172.193
Base-Backbone interact. energy: -0.713
local terms energy: -208.356215
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -44.830
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -53.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -573.959790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.959790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.959790 (E_RNA)
where:
Base-Base interactions energy: -377.031
where: short stacking energy: -160.377
Base-Backbone interact. energy: -1.246
local terms energy: -195.682893
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -46.603
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -44.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -552.267321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.267321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.267321 (E_RNA)
where:
Base-Base interactions energy: -370.221
where: short stacking energy: -166.497
Base-Backbone interact. energy: 1.991
local terms energy: -184.036872
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -51.748
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: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -418.819974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.819974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.819974 (E_RNA)
where:
Base-Base interactions energy: -283.163
where: short stacking energy: -121.530
Base-Backbone interact. energy: -0.901
local terms energy: -134.756139
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -194.342932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.342932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.342932 (E_RNA)
where:
Base-Base interactions energy: -67.904
where: short stacking energy: -47.551
Base-Backbone interact. energy: -0.085
local terms energy: -126.353921
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -32.540
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -191.154880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.154880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.154880 (E_RNA)
where:
Base-Base interactions energy: -55.080
where: short stacking energy: -51.109
Base-Backbone interact. energy: -1.036
local terms energy: -135.039210
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -40.684
flat angles C4'-P-C4' energy: -40.482
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -183.858252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.858252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.858252 (E_RNA)
where:
Base-Base interactions energy: -69.128
where: short stacking energy: -60.807
Base-Backbone interact. energy: -1.509
local terms energy: -113.221611
where:
bonds (distance) C4'-P energy: -41.040
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -15.672
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: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -671.558119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.558119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.558119 (E_RNA)
where:
Base-Base interactions energy: -459.705
where: short stacking energy: -186.831
Base-Backbone interact. energy: 2.596
local terms energy: -214.449250
where:
bonds (distance) C4'-P energy: -46.298
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: -57.439
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: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -669.068398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.068398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.068398 (E_RNA)
where:
Base-Base interactions energy: -458.427
where: short stacking energy: -215.192
Base-Backbone interact. energy: -0.796
local terms energy: -209.845939
where:
bonds (distance) C4'-P energy: -34.633
bonds (distance) P-C4' energy: -38.127
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -62.279
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: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -592.458982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.458982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.458982 (E_RNA)
where:
Base-Base interactions energy: -393.708
where: short stacking energy: -172.510
Base-Backbone interact. energy: -0.958
local terms energy: -197.793420
where:
bonds (distance) C4'-P energy: -39.644
bonds (distance) P-C4' energy: -37.111
flat angles C4'-P-C4' energy: -40.769
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -50.808
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: 402
Temperature: 1.050000
Total energy: -620.171966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.171966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.171966 (E_RNA)
where:
Base-Base interactions energy: -418.901
where: short stacking energy: -185.541
Base-Backbone interact. energy: -0.440
local terms energy: -200.831149
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -32.268
flat angles C4'-P-C4' energy: -38.220
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -62.266
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: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -602.583897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.583897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.583897 (E_RNA)
where:
Base-Base interactions energy: -397.093
where: short stacking energy: -187.141
Base-Backbone interact. energy: -0.430
local terms energy: -205.060947
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -55.433
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -573.893244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.893244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.893244 (E_RNA)
where:
Base-Base interactions energy: -385.747
where: short stacking energy: -179.359
Base-Backbone interact. energy: -0.098
local terms energy: -188.048210
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -48.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -405.717506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.717506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.717506 (E_RNA)
where:
Base-Base interactions energy: -251.457
where: short stacking energy: -116.734
Base-Backbone interact. energy: -0.279
local terms energy: -153.982125
where:
bonds (distance) C4'-P energy: -36.691
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -251.164822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.164822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.164822 (E_RNA)
where:
Base-Base interactions energy: -129.032
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.172
local terms energy: -121.960173
where:
bonds (distance) C4'-P energy: -28.358
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -23.754
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: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -191.139025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.139025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.139025 (E_RNA)
where:
Base-Base interactions energy: -64.865
where: short stacking energy: -52.612
Base-Backbone interact. energy: -0.425
local terms energy: -125.848788
where:
bonds (distance) C4'-P energy: -36.683
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -177.223569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.223569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.223569 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.603
local terms energy: -126.538662
where:
bonds (distance) C4'-P energy: -36.803
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: 2.101
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: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -654.502494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.502494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.502494 (E_RNA)
where:
Base-Base interactions energy: -453.673
where: short stacking energy: -181.778
Base-Backbone interact. energy: 0.208
local terms energy: -201.037774
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -52.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -654.626944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.626944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.626944 (E_RNA)
where:
Base-Base interactions energy: -454.114
where: short stacking energy: -202.126
Base-Backbone interact. energy: -1.907
local terms energy: -198.606057
where:
bonds (distance) C4'-P energy: -40.606
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -39.187
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -57.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -599.960282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.960282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.960282 (E_RNA)
where:
Base-Base interactions energy: -390.882
where: short stacking energy: -174.171
Base-Backbone interact. energy: -0.649
local terms energy: -208.429277
where:
bonds (distance) C4'-P energy: -36.410
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -55.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -606.796455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.796455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.796455 (E_RNA)
where:
Base-Base interactions energy: -401.236
where: short stacking energy: -170.336
Base-Backbone interact. energy: -0.584
local terms energy: -204.977031
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -36.739
flat angles C4'-P-C4' energy: -43.647
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -58.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -582.327065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.327065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.327065 (E_RNA)
where:
Base-Base interactions energy: -405.111
where: short stacking energy: -171.163
Base-Backbone interact. energy: -0.077
local terms energy: -177.138628
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: -54.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -548.627682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.627682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.627682 (E_RNA)
where:
Base-Base interactions energy: -357.638
where: short stacking energy: -148.385
Base-Backbone interact. energy: -1.163
local terms energy: -189.826768
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -37.436
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -27.181
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: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -412.161955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.161955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.161955 (E_RNA)
where:
Base-Base interactions energy: -262.408
where: short stacking energy: -100.658
Base-Backbone interact. energy: -0.573
local terms energy: -149.180547
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -24.899
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: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -245.726287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.726287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.726287 (E_RNA)
where:
Base-Base interactions energy: -116.636
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.718
local terms energy: -128.371792
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -3.967
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: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -191.218443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.218443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.218443 (E_RNA)
where:
Base-Base interactions energy: -84.356
where: short stacking energy: -40.857
Base-Backbone interact. energy: 2.739
local terms energy: -109.601314
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -27.168
tors. eta vs tors. theta energy: 11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -165.766143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.766143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.766143 (E_RNA)
where:
Base-Base interactions energy: -60.017
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.453
local terms energy: -105.296036
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: 6.290
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -668.892848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.892848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.892848 (E_RNA)
where:
Base-Base interactions energy: -476.597
where: short stacking energy: -188.723
Base-Backbone interact. energy: -0.665
local terms energy: -191.630961
where:
bonds (distance) C4'-P energy: -37.202
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: -51.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -657.854258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.854258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.854258 (E_RNA)
where:
Base-Base interactions energy: -450.635
where: short stacking energy: -189.527
Base-Backbone interact. energy: -1.480
local terms energy: -205.739010
where:
bonds (distance) C4'-P energy: -35.777
bonds (distance) P-C4' energy: -45.659
flat angles C4'-P-C4' energy: -40.921
flat angles P-C4'-P energy: -28.658
tors. eta vs tors. theta energy: -54.724
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: 404
Temperature: 1.000000
Total energy: -604.428917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.428917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.428917 (E_RNA)
where:
Base-Base interactions energy: -405.933
where: short stacking energy: -174.117
Base-Backbone interact. energy: -0.194
local terms energy: -198.302081
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -45.054
flat angles C4'-P-C4' energy: -41.365
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -61.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -569.428280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.428280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.428280 (E_RNA)
where:
Base-Base interactions energy: -372.033
where: short stacking energy: -155.488
Base-Backbone interact. energy: -2.024
local terms energy: -195.371559
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -37.471
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -52.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -558.747375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.747375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.747375 (E_RNA)
where:
Base-Base interactions energy: -372.042
where: short stacking energy: -154.597
Base-Backbone interact. energy: -1.110
local terms energy: -185.595267
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -31.319
tors. eta vs tors. theta energy: -48.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -578.674876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.674876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.674876 (E_RNA)
where:
Base-Base interactions energy: -376.376
where: short stacking energy: -156.810
Base-Backbone interact. energy: -0.135
local terms energy: -202.163654
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -43.375
flat angles C4'-P-C4' energy: -38.801
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -45.674
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: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -417.064292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.064292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.064292 (E_RNA)
where:
Base-Base interactions energy: -256.963
where: short stacking energy: -98.248
Base-Backbone interact. energy: -1.144
local terms energy: -158.958141
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -37.497
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -267.250506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.250506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.250506 (E_RNA)
where:
Base-Base interactions energy: -137.443
where: short stacking energy: -84.239
Base-Backbone interact. energy: 0.196
local terms energy: -130.002880
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -30.376
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -182.857485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.857485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.857485 (E_RNA)
where:
Base-Base interactions energy: -74.277
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.388
local terms energy: -108.191896
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -21.687
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -177.891556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.891556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.891556 (E_RNA)
where:
Base-Base interactions energy: -57.045
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.936
local terms energy: -119.910529
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -42.524
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -670.333906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.333906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.333906 (E_RNA)
where:
Base-Base interactions energy: -464.320
where: short stacking energy: -182.231
Base-Backbone interact. energy: -1.031
local terms energy: -204.982327
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -40.683
flat angles C4'-P-C4' energy: -44.372
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -60.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -657.523882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.523882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.523882 (E_RNA)
where:
Base-Base interactions energy: -439.119
where: short stacking energy: -198.769
Base-Backbone interact. energy: -0.196
local terms energy: -218.208806
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -40.919
flat angles C4'-P-C4' energy: -38.763
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -63.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -610.859182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.859182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.859182 (E_RNA)
where:
Base-Base interactions energy: -409.383
where: short stacking energy: -184.732
Base-Backbone interact. energy: -0.894
local terms energy: -200.582503
where:
bonds (distance) C4'-P energy: -40.739
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -59.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -597.249124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.249124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.249124 (E_RNA)
where:
Base-Base interactions energy: -396.560
where: short stacking energy: -171.193
Base-Backbone interact. energy: -1.527
local terms energy: -199.162240
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -41.128
flat angles C4'-P-C4' energy: -39.831
flat angles P-C4'-P energy: -28.743
tors. eta vs tors. theta energy: -46.902
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: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -524.353787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.353787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.353787 (E_RNA)
where:
Base-Base interactions energy: -325.810
where: short stacking energy: -151.609
Base-Backbone interact. energy: -0.521
local terms energy: -198.022287
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -43.794
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -561.939854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.939854 (E_RNA)
where:
Base-Base interactions energy: -368.170
where: short stacking energy: -160.359
Base-Backbone interact. energy: -0.366
local terms energy: -193.403884
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -43.431
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -54.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -402.159197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.159197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.159197 (E_RNA)
where:
Base-Base interactions energy: -241.733
where: short stacking energy: -110.846
Base-Backbone interact. energy: -1.002
local terms energy: -159.423749
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -38.282
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -283.377843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.377843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.377843 (E_RNA)
where:
Base-Base interactions energy: -148.022
where: short stacking energy: -69.756
Base-Backbone interact. energy: -2.083
local terms energy: -133.272760
where:
bonds (distance) C4'-P energy: -29.924
bonds (distance) P-C4' energy: -33.887
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -199.679960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.679960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.679960 (E_RNA)
where:
Base-Base interactions energy: -91.065
where: short stacking energy: -51.371
Base-Backbone interact. energy: 1.713
local terms energy: -110.328170
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -182.159732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.159732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.159732 (E_RNA)
where:
Base-Base interactions energy: -57.100
where: short stacking energy: -45.045
Base-Backbone interact. energy: -1.219
local terms energy: -123.840606
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -41.820
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -671.248949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.248949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.248949 (E_RNA)
where:
Base-Base interactions energy: -456.701
where: short stacking energy: -171.920
Base-Backbone interact. energy: -1.486
local terms energy: -213.062591
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -34.194
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: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -654.401959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.401959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.401959 (E_RNA)
where:
Base-Base interactions energy: -439.144
where: short stacking energy: -197.383
Base-Backbone interact. energy: 0.828
local terms energy: -216.085787
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -61.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -616.076251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.076251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.076251 (E_RNA)
where:
Base-Base interactions energy: -415.069
where: short stacking energy: -186.679
Base-Backbone interact. energy: -0.928
local terms energy: -200.079141
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -43.425
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -57.610
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: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -619.098879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.098879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.098879 (E_RNA)
where:
Base-Base interactions energy: -427.985
where: short stacking energy: -176.122
Base-Backbone interact. energy: -0.746
local terms energy: -190.367903
where:
bonds (distance) C4'-P energy: -37.254
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -40.033
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -55.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -562.039358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.039358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.039358 (E_RNA)
where:
Base-Base interactions energy: -381.387
where: short stacking energy: -174.906
Base-Backbone interact. energy: 0.510
local terms energy: -181.162651
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -36.097
flat angles P-C4'-P energy: -31.982
tors. eta vs tors. theta energy: -55.077
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -529.107127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.107127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.107127 (E_RNA)
where:
Base-Base interactions energy: -344.423
where: short stacking energy: -156.164
Base-Backbone interact. energy: -0.702
local terms energy: -183.982530
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -47.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -400.112682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.112682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.112682 (E_RNA)
where:
Base-Base interactions energy: -239.429
where: short stacking energy: -119.070
Base-Backbone interact. energy: -2.023
local terms energy: -158.659985
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -35.259
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -29.719
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: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -288.270656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.270656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.270656 (E_RNA)
where:
Base-Base interactions energy: -156.680
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.456
local terms energy: -131.134166
where:
bonds (distance) C4'-P energy: -34.592
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -182.771991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.771991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.771991 (E_RNA)
where:
Base-Base interactions energy: -64.464
where: short stacking energy: -63.396
Base-Backbone interact. energy: 1.429
local terms energy: -119.736830
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -168.255874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.255874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.255874 (E_RNA)
where:
Base-Base interactions energy: -63.853
where: short stacking energy: -45.490
Base-Backbone interact. energy: 1.321
local terms energy: -105.724363
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: 12.077
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: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -668.574757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.574757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.574757 (E_RNA)
where:
Base-Base interactions energy: -466.361
where: short stacking energy: -174.183
Base-Backbone interact. energy: 1.262
local terms energy: -203.475520
where:
bonds (distance) C4'-P energy: -39.578
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -41.779
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: -54.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -671.494958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.494958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.494958 (E_RNA)
where:
Base-Base interactions energy: -454.135
where: short stacking energy: -211.581
Base-Backbone interact. energy: -0.852
local terms energy: -216.508445
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -43.808
flat angles P-C4'-P energy: -32.488
tors. eta vs tors. theta energy: -66.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -611.997095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.997095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.997095 (E_RNA)
where:
Base-Base interactions energy: -394.229
where: short stacking energy: -196.133
Base-Backbone interact. energy: -0.854
local terms energy: -216.913569
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -46.393
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -64.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -644.517522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.517522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.517522 (E_RNA)
where:
Base-Base interactions energy: -426.693
where: short stacking energy: -186.477
Base-Backbone interact. energy: -0.958
local terms energy: -216.865949
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -40.519
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -32.151
tors. eta vs tors. theta energy: -56.268
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -538.757291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.757291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.757291 (E_RNA)
where:
Base-Base interactions energy: -357.947
where: short stacking energy: -151.685
Base-Backbone interact. energy: 0.073
local terms energy: -180.883287
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -41.098
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -38.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -543.487516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.487516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.487516 (E_RNA)
where:
Base-Base interactions energy: -360.871
where: short stacking energy: -168.501
Base-Backbone interact. energy: -0.730
local terms energy: -181.886595
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -50.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -405.157392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.157392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.157392 (E_RNA)
where:
Base-Base interactions energy: -244.372
where: short stacking energy: -110.667
Base-Backbone interact. energy: 0.718
local terms energy: -161.502870
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -38.067
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -263.379862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.379862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.379862 (E_RNA)
where:
Base-Base interactions energy: -129.547
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.247
local terms energy: -133.585671
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -196.092070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.092070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.092070 (E_RNA)
where:
Base-Base interactions energy: -79.256
where: short stacking energy: -60.840
Base-Backbone interact. energy: -2.121
local terms energy: -114.714803
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -192.146773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.146773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.146773 (E_RNA)
where:
Base-Base interactions energy: -64.891
where: short stacking energy: -57.337
Base-Backbone interact. energy: 0.130
local terms energy: -127.385913
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -37.567
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -21.749
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: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -676.405794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.405794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.405794 (E_RNA)
where:
Base-Base interactions energy: -455.422
where: short stacking energy: -207.801
Base-Backbone interact. energy: -1.626
local terms energy: -219.357552
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -46.388
flat angles C4'-P-C4' energy: -47.286
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -61.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -632.616451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.616451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.616451 (E_RNA)
where:
Base-Base interactions energy: -434.768
where: short stacking energy: -172.889
Base-Backbone interact. energy: -0.888
local terms energy: -196.960268
where:
bonds (distance) C4'-P energy: -34.664
bonds (distance) P-C4' energy: -39.508
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -59.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -637.465641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.465641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.465641 (E_RNA)
where:
Base-Base interactions energy: -434.058
where: short stacking energy: -185.132
Base-Backbone interact. energy: -1.339
local terms energy: -202.068535
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -62.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -602.234788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.234788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.234788 (E_RNA)
where:
Base-Base interactions energy: -413.453
where: short stacking energy: -181.133
Base-Backbone interact. energy: -1.169
local terms energy: -187.613335
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -57.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -530.067851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.067851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.067851 (E_RNA)
where:
Base-Base interactions energy: -336.827
where: short stacking energy: -163.935
Base-Backbone interact. energy: -0.053
local terms energy: -193.187902
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -48.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -516.615870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.615870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.615870 (E_RNA)
where:
Base-Base interactions energy: -345.385
where: short stacking energy: -138.358
Base-Backbone interact. energy: -0.168
local terms energy: -171.063211
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -37.987
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -40.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -422.215459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.215459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.215459 (E_RNA)
where:
Base-Base interactions energy: -266.955
where: short stacking energy: -123.862
Base-Backbone interact. energy: -0.155
local terms energy: -155.106197
where:
bonds (distance) C4'-P energy: -34.542
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -33.971
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -307.097680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.097680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.097680 (E_RNA)
where:
Base-Base interactions energy: -169.669
where: short stacking energy: -91.160
Base-Backbone interact. energy: -0.383
local terms energy: -137.045888
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -37.340
flat angles C4'-P-C4' energy: -37.109
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -192.004680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.004680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.004680 (E_RNA)
where:
Base-Base interactions energy: -63.373
where: short stacking energy: -54.389
Base-Backbone interact. energy: -1.148
local terms energy: -127.484086
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -34.977
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -167.418541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.418541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.418541 (E_RNA)
where:
Base-Base interactions energy: -41.359
where: short stacking energy: -34.107
Base-Backbone interact. energy: -0.371
local terms energy: -125.688547
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: 5.093
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: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -676.897238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.897238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.897238 (E_RNA)
where:
Base-Base interactions energy: -457.586
where: short stacking energy: -214.201
Base-Backbone interact. energy: -0.654
local terms energy: -218.657188
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -39.652
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -67.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -653.237472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.237472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.237472 (E_RNA)
where:
Base-Base interactions energy: -447.468
where: short stacking energy: -176.263
Base-Backbone interact. energy: -1.548
local terms energy: -204.221333
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -40.392
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -55.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -617.021702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.021702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.021702 (E_RNA)
where:
Base-Base interactions energy: -416.967
where: short stacking energy: -169.069
Base-Backbone interact. energy: -0.804
local terms energy: -199.250480
where:
bonds (distance) C4'-P energy: -41.613
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -49.591
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: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -586.138116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.138116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.138116 (E_RNA)
where:
Base-Base interactions energy: -381.216
where: short stacking energy: -171.661
Base-Backbone interact. energy: 1.381
local terms energy: -206.302827
where:
bonds (distance) C4'-P energy: -37.455
bonds (distance) P-C4' energy: -42.614
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -57.976
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: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -574.777044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.777044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.777044 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -171.340
Base-Backbone interact. energy: 1.571
local terms energy: -202.223998
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -59.019
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: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -534.249202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.249202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.249202 (E_RNA)
where:
Base-Base interactions energy: -364.128
where: short stacking energy: -163.216
Base-Backbone interact. energy: -0.099
local terms energy: -170.022359
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -46.713
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: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -396.234441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.234441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.234441 (E_RNA)
where:
Base-Base interactions energy: -243.321
where: short stacking energy: -114.701
Base-Backbone interact. energy: -2.249
local terms energy: -150.664475
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -44.625
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -24.583
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: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -304.327024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.327024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.327024 (E_RNA)
where:
Base-Base interactions energy: -157.861
where: short stacking energy: -67.268
Base-Backbone interact. energy: -1.419
local terms energy: -145.046438
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -40.705
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -31.701
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -182.377893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.377893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.377893 (E_RNA)
where:
Base-Base interactions energy: -70.359
where: short stacking energy: -47.858
Base-Backbone interact. energy: -0.268
local terms energy: -111.750495
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -37.271
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: 2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -169.313280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.313280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.313280 (E_RNA)
where:
Base-Base interactions energy: -50.755
where: short stacking energy: -48.031
Base-Backbone interact. energy: 1.038
local terms energy: -119.596226
where:
bonds (distance) C4'-P energy: -31.450
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: 3.499
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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -662.784684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.784684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.784684 (E_RNA)
where:
Base-Base interactions energy: -449.002
where: short stacking energy: -186.219
Base-Backbone interact. energy: 0.114
local terms energy: -213.896459
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -43.921
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -60.698
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: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -670.034297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.034297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.034297 (E_RNA)
where:
Base-Base interactions energy: -452.660
where: short stacking energy: -204.347
Base-Backbone interact. energy: -1.109
local terms energy: -216.265361
where:
bonds (distance) C4'-P energy: -42.733
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -47.910
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -64.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -599.349253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.349253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.349253 (E_RNA)
where:
Base-Base interactions energy: -388.854
where: short stacking energy: -175.414
Base-Backbone interact. energy: -2.122
local terms energy: -208.373329
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -41.084
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -54.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -618.850481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.850481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.850481 (E_RNA)
where:
Base-Base interactions energy: -416.932
where: short stacking energy: -174.173
Base-Backbone interact. energy: -0.643
local terms energy: -201.275884
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -27.742
tors. eta vs tors. theta energy: -56.151
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: 410
Temperature: 1.100000
Total energy: -587.886849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.886849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.886849 (E_RNA)
where:
Base-Base interactions energy: -393.317
where: short stacking energy: -176.599
Base-Backbone interact. energy: -0.433
local terms energy: -194.136756
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -37.243
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -57.100
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: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -507.458208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.458208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.458208 (E_RNA)
where:
Base-Base interactions energy: -350.945
where: short stacking energy: -149.446
Base-Backbone interact. energy: -0.653
local terms energy: -155.860725
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -45.915
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: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -424.294057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.294057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.294057 (E_RNA)
where:
Base-Base interactions energy: -263.261
where: short stacking energy: -131.980
Base-Backbone interact. energy: 2.372
local terms energy: -163.405079
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -37.101
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -37.238
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -313.144556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.144556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.144556 (E_RNA)
where:
Base-Base interactions energy: -175.955
where: short stacking energy: -95.450
Base-Backbone interact. energy: -0.640
local terms energy: -136.550136
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -13.604
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: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -173.346350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.346350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.346350 (E_RNA)
where:
Base-Base interactions energy: -44.856
where: short stacking energy: -37.829
Base-Backbone interact. energy: 1.142
local terms energy: -129.632619
where:
bonds (distance) C4'-P energy: -36.454
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -186.031297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.031297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.031297 (E_RNA)
where:
Base-Base interactions energy: -75.675
where: short stacking energy: -48.600
Base-Backbone interact. energy: 3.426
local terms energy: -113.782917
where:
bonds (distance) C4'-P energy: -38.677
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: 7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -670.760847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.760847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.760847 (E_RNA)
where:
Base-Base interactions energy: -466.053
where: short stacking energy: -189.371
Base-Backbone interact. energy: -1.515
local terms energy: -203.192942
where:
bonds (distance) C4'-P energy: -37.350
bonds (distance) P-C4' energy: -36.689
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -58.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -624.784711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.784711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.784711 (E_RNA)
where:
Base-Base interactions energy: -405.330
where: short stacking energy: -195.860
Base-Backbone interact. energy: -0.248
local terms energy: -219.206867
where:
bonds (distance) C4'-P energy: -39.586
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -48.814
flat angles P-C4'-P energy: -35.654
tors. eta vs tors. theta energy: -58.528
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: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -657.779673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.779673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.779673 (E_RNA)
where:
Base-Base interactions energy: -432.940
where: short stacking energy: -207.039
Base-Backbone interact. energy: -1.702
local terms energy: -223.137469
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -67.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -618.518698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.518698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.518698 (E_RNA)
where:
Base-Base interactions energy: -416.510
where: short stacking energy: -171.948
Base-Backbone interact. energy: -0.823
local terms energy: -201.185808
where:
bonds (distance) C4'-P energy: -40.673
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -38.713
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -54.262
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: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -577.904334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.904334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.904334 (E_RNA)
where:
Base-Base interactions energy: -382.217
where: short stacking energy: -172.048
Base-Backbone interact. energy: -0.499
local terms energy: -195.188297
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -38.773
flat angles C4'-P-C4' energy: -39.561
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -57.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -542.077597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.077597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.077597 (E_RNA)
where:
Base-Base interactions energy: -383.782
where: short stacking energy: -159.792
Base-Backbone interact. energy: 2.534
local terms energy: -160.829519
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -40.123
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -449.875976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.875976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.875976 (E_RNA)
where:
Base-Base interactions energy: -270.757
where: short stacking energy: -120.969
Base-Backbone interact. energy: -0.381
local terms energy: -178.738067
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -40.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -309.946292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.946292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.946292 (E_RNA)
where:
Base-Base interactions energy: -164.292
where: short stacking energy: -82.229
Base-Backbone interact. energy: 2.188
local terms energy: -147.842807
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -203.036355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.036355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.036355 (E_RNA)
where:
Base-Base interactions energy: -87.500
where: short stacking energy: -61.165
Base-Backbone interact. energy: -0.792
local terms energy: -114.743995
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -38.312
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -3.841
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -198.340820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.340820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.340820 (E_RNA)
where:
Base-Base interactions energy: -82.420
where: short stacking energy: -43.068
Base-Backbone interact. energy: -0.138
local terms energy: -115.782802
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: 6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -678.036074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.036074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.036074 (E_RNA)
where:
Base-Base interactions energy: -464.158
where: short stacking energy: -197.013
Base-Backbone interact. energy: -0.730
local terms energy: -213.147666
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -43.805
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -627.550613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.550613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.550613 (E_RNA)
where:
Base-Base interactions energy: -410.931
where: short stacking energy: -188.306
Base-Backbone interact. energy: -0.014
local terms energy: -216.605827
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -46.358
flat angles P-C4'-P energy: -24.844
tors. eta vs tors. theta energy: -61.256
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: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -620.827732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.827732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.827732 (E_RNA)
where:
Base-Base interactions energy: -408.735
where: short stacking energy: -184.168
Base-Backbone interact. energy: -0.210
local terms energy: -211.882572
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -43.919
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -54.490
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: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -613.656719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.656719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.656719 (E_RNA)
where:
Base-Base interactions energy: -411.311
where: short stacking energy: -177.477
Base-Backbone interact. energy: -0.178
local terms energy: -202.167848
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -59.758
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: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -581.335841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.335841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.335841 (E_RNA)
where:
Base-Base interactions energy: -383.798
where: short stacking energy: -179.914
Base-Backbone interact. energy: -0.422
local terms energy: -197.116246
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -44.933
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -56.407
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -521.747136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.747136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.747136 (E_RNA)
where:
Base-Base interactions energy: -345.735
where: short stacking energy: -130.345
Base-Backbone interact. energy: -0.044
local terms energy: -175.968141
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -27.599
flat angles P-C4'-P energy: -24.260
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -402.180580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.180580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.180580 (E_RNA)
where:
Base-Base interactions energy: -246.717
where: short stacking energy: -107.871
Base-Backbone interact. energy: -0.344
local terms energy: -155.120120
where:
bonds (distance) C4'-P energy: -33.702
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -28.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -338.205593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.205593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.205593 (E_RNA)
where:
Base-Base interactions energy: -180.468
where: short stacking energy: -83.422
Base-Backbone interact. energy: -0.643
local terms energy: -157.094770
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -42.073
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -180.877553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.877553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.877553 (E_RNA)
where:
Base-Base interactions energy: -66.474
where: short stacking energy: -49.902
Base-Backbone interact. energy: -0.532
local terms energy: -113.871521
where:
bonds (distance) C4'-P energy: -40.426
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -20.286
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: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -165.268810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.268810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.268810 (E_RNA)
where:
Base-Base interactions energy: -71.112
where: short stacking energy: -50.754
Base-Backbone interact. energy: -1.409
local terms energy: -92.747901
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: 6.584
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: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -678.001818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.001818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.001818 (E_RNA)
where:
Base-Base interactions energy: -468.911
where: short stacking energy: -189.256
Base-Backbone interact. energy: -0.520
local terms energy: -208.571280
where:
bonds (distance) C4'-P energy: -31.257
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -64.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -623.552952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.552952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.552952 (E_RNA)
where:
Base-Base interactions energy: -414.736
where: short stacking energy: -201.958
Base-Backbone interact. energy: 1.766
local terms energy: -210.582383
where:
bonds (distance) C4'-P energy: -40.672
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: -61.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -617.282434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.282434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.282434 (E_RNA)
where:
Base-Base interactions energy: -421.775
where: short stacking energy: -170.652
Base-Backbone interact. energy: -1.339
local terms energy: -194.167827
where:
bonds (distance) C4'-P energy: -28.822
bonds (distance) P-C4' energy: -39.662
flat angles C4'-P-C4' energy: -40.713
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: -57.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -601.475070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.475070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.475070 (E_RNA)
where:
Base-Base interactions energy: -413.524
where: short stacking energy: -197.762
Base-Backbone interact. energy: 0.438
local terms energy: -188.389184
where:
bonds (distance) C4'-P energy: -30.986
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -63.485
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: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -544.941557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.941557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.941557 (E_RNA)
where:
Base-Base interactions energy: -341.863
where: short stacking energy: -149.070
Base-Backbone interact. energy: -0.178
local terms energy: -202.900963
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -38.792
flat angles C4'-P-C4' energy: -42.128
flat angles P-C4'-P energy: -24.534
tors. eta vs tors. theta energy: -56.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -523.611869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.611869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.611869 (E_RNA)
where:
Base-Base interactions energy: -342.330
where: short stacking energy: -143.957
Base-Backbone interact. energy: -0.842
local terms energy: -180.439482
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -43.988
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -36.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -366.678747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.678747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.678747 (E_RNA)
where:
Base-Base interactions energy: -216.058
where: short stacking energy: -95.372
Base-Backbone interact. energy: -0.976
local terms energy: -149.644662
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -29.098
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -317.925639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.925639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.925639 (E_RNA)
where:
Base-Base interactions energy: -169.683
where: short stacking energy: -90.343
Base-Backbone interact. energy: -0.061
local terms energy: -148.181810
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -38.182
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -16.524
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: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -190.425235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.425235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.425235 (E_RNA)
where:
Base-Base interactions energy: -84.501
where: short stacking energy: -57.456
Base-Backbone interact. energy: 0.269
local terms energy: -106.192849
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -170.795213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.795213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.795213 (E_RNA)
where:
Base-Base interactions energy: -56.854
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.419
local terms energy: -113.521740
where:
bonds (distance) C4'-P energy: -33.498
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: 8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -677.777558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.777558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.777558 (E_RNA)
where:
Base-Base interactions energy: -463.212
where: short stacking energy: -189.237
Base-Backbone interact. energy: -0.609
local terms energy: -213.957300
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -38.659
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -66.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -623.168576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.168576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.168576 (E_RNA)
where:
Base-Base interactions energy: -406.886
where: short stacking energy: -178.613
Base-Backbone interact. energy: -0.040
local terms energy: -216.243197
where:
bonds (distance) C4'-P energy: -42.924
bonds (distance) P-C4' energy: -39.440
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -29.388
tors. eta vs tors. theta energy: -57.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -631.603677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.603677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.603677 (E_RNA)
where:
Base-Base interactions energy: -417.019
where: short stacking energy: -198.166
Base-Backbone interact. energy: -0.063
local terms energy: -214.521908
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -41.229
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -65.674
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: 414
Temperature: 1.050000
Total energy: -607.001842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.001842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.001842 (E_RNA)
where:
Base-Base interactions energy: -403.469
where: short stacking energy: -175.064
Base-Backbone interact. energy: -0.201
local terms energy: -203.331953
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -29.532
tors. eta vs tors. theta energy: -53.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -548.373391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.373391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.373391 (E_RNA)
where:
Base-Base interactions energy: -364.371
where: short stacking energy: -164.929
Base-Backbone interact. energy: 1.883
local terms energy: -185.884640
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -38.946
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -54.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -530.446384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.446384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.446384 (E_RNA)
where:
Base-Base interactions energy: -361.662
where: short stacking energy: -157.107
Base-Backbone interact. energy: 1.533
local terms energy: -170.316637
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -33.920
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: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -368.121623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.121623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.121623 (E_RNA)
where:
Base-Base interactions energy: -228.619
where: short stacking energy: -111.280
Base-Backbone interact. energy: -1.290
local terms energy: -138.213551
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -321.610491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.610491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.610491 (E_RNA)
where:
Base-Base interactions energy: -181.118
where: short stacking energy: -88.589
Base-Backbone interact. energy: -0.285
local terms energy: -140.206634
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -38.801
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -202.616123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.616123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.616123 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -70.252
Base-Backbone interact. energy: 0.178
local terms energy: -104.397924
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: 4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -176.701434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.701434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.701434 (E_RNA)
where:
Base-Base interactions energy: -60.784
where: short stacking energy: -47.567
Base-Backbone interact. energy: 0.918
local terms energy: -116.835196
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -40.993
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -670.181453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.181453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.181453 (E_RNA)
where:
Base-Base interactions energy: -454.781
where: short stacking energy: -189.163
Base-Backbone interact. energy: -0.405
local terms energy: -214.994590
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -46.255
flat angles P-C4'-P energy: -29.092
tors. eta vs tors. theta energy: -66.085
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: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -660.706186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.706186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.706186 (E_RNA)
where:
Base-Base interactions energy: -440.965
where: short stacking energy: -199.330
Base-Backbone interact. energy: -0.309
local terms energy: -219.432096
where:
bonds (distance) C4'-P energy: -31.908
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -46.569
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -62.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -596.456845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.456845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.456845 (E_RNA)
where:
Base-Base interactions energy: -385.236
where: short stacking energy: -174.206
Base-Backbone interact. energy: -0.018
local terms energy: -211.202585
where:
bonds (distance) C4'-P energy: -45.427
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -42.346
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -55.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -614.652398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.652398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.652398 (E_RNA)
where:
Base-Base interactions energy: -405.905
where: short stacking energy: -179.705
Base-Backbone interact. energy: -2.912
local terms energy: -205.836205
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -43.617
flat angles C4'-P-C4' energy: -42.374
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -58.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -524.503346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.503346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.503346 (E_RNA)
where:
Base-Base interactions energy: -327.270
where: short stacking energy: -141.536
Base-Backbone interact. energy: -0.358
local terms energy: -196.875506
where:
bonds (distance) C4'-P energy: -32.944
bonds (distance) P-C4' energy: -43.881
flat angles C4'-P-C4' energy: -46.174
flat angles P-C4'-P energy: -29.919
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: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -538.258733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.258733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.258733 (E_RNA)
where:
Base-Base interactions energy: -351.979
where: short stacking energy: -147.729
Base-Backbone interact. energy: -0.525
local terms energy: -185.755086
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -35.327
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: -45.600
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: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -374.708591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.708591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.708591 (E_RNA)
where:
Base-Base interactions energy: -217.952
where: short stacking energy: -102.099
Base-Backbone interact. energy: -0.542
local terms energy: -156.214234
where:
bonds (distance) C4'-P energy: -34.564
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -24.175
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: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -358.466557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.466557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.466557 (E_RNA)
where:
Base-Base interactions energy: -201.920
where: short stacking energy: -98.728
Base-Backbone interact. energy: 0.116
local terms energy: -156.662304
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -48.920
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -23.678
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: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -181.101898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.101898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.101898 (E_RNA)
where:
Base-Base interactions energy: -68.731
where: short stacking energy: -50.604
Base-Backbone interact. energy: 1.251
local terms energy: -113.622407
where:
bonds (distance) C4'-P energy: -39.114
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -173.773550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.773550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.773550 (E_RNA)
where:
Base-Base interactions energy: -48.903
where: short stacking energy: -27.023
Base-Backbone interact. energy: 0.031
local terms energy: -124.902111
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -25.604
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: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -667.716169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.716169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.716169 (E_RNA)
where:
Base-Base interactions energy: -433.931
where: short stacking energy: -205.386
Base-Backbone interact. energy: -2.545
local terms energy: -231.239849
where:
bonds (distance) C4'-P energy: -42.688
bonds (distance) P-C4' energy: -42.442
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -65.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -662.899044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.899044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.899044 (E_RNA)
where:
Base-Base interactions energy: -442.100
where: short stacking energy: -173.244
Base-Backbone interact. energy: -1.078
local terms energy: -219.720792
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -35.587
flat angles C4'-P-C4' energy: -45.996
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -62.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -619.506097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.506097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.506097 (E_RNA)
where:
Base-Base interactions energy: -419.686
where: short stacking energy: -184.471
Base-Backbone interact. energy: -1.052
local terms energy: -198.767551
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -39.964
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -52.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -577.703941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.703941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.703941 (E_RNA)
where:
Base-Base interactions energy: -376.168
where: short stacking energy: -174.296
Base-Backbone interact. energy: -1.278
local terms energy: -200.257015
where:
bonds (distance) C4'-P energy: -39.731
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -41.806
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -55.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -557.583509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.583509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.583509 (E_RNA)
where:
Base-Base interactions energy: -381.098
where: short stacking energy: -177.594
Base-Backbone interact. energy: -0.313
local terms energy: -176.172972
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -59.619
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -495.756948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.756948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.756948 (E_RNA)
where:
Base-Base interactions energy: -318.699
where: short stacking energy: -145.181
Base-Backbone interact. energy: -0.880
local terms energy: -176.177558
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -41.491
flat angles P-C4'-P energy: -26.560
tors. eta vs tors. theta energy: -39.826
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: 416
Temperature: 1.200000
Total energy: -362.122574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.122574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.122574 (E_RNA)
where:
Base-Base interactions energy: -201.385
where: short stacking energy: -106.596
Base-Backbone interact. energy: -0.360
local terms energy: -160.378266
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -359.533586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.533586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.533586 (E_RNA)
where:
Base-Base interactions energy: -223.187
where: short stacking energy: -109.357
Base-Backbone interact. energy: -1.257
local terms energy: -135.089426
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -42.278
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -194.647805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.647805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.647805 (E_RNA)
where:
Base-Base interactions energy: -61.652
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.407
local terms energy: -132.588938
where:
bonds (distance) C4'-P energy: -40.789
bonds (distance) P-C4' energy: -39.091
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -190.298063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.298063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.298063 (E_RNA)
where:
Base-Base interactions energy: -61.102
where: short stacking energy: -60.234
Base-Backbone interact. energy: -0.373
local terms energy: -128.823294
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -32.050
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -656.632598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.632598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.632598 (E_RNA)
where:
Base-Base interactions energy: -436.557
where: short stacking energy: -208.492
Base-Backbone interact. energy: -0.630
local terms energy: -219.445551
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -48.243
flat angles P-C4'-P energy: -31.479
tors. eta vs tors. theta energy: -62.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -672.764224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.764224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.764224 (E_RNA)
where:
Base-Base interactions energy: -450.206
where: short stacking energy: -193.090
Base-Backbone interact. energy: -1.147
local terms energy: -221.411648
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -61.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -616.551916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.551916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.551916 (E_RNA)
where:
Base-Base interactions energy: -415.242
where: short stacking energy: -176.809
Base-Backbone interact. energy: 1.293
local terms energy: -202.603551
where:
bonds (distance) C4'-P energy: -39.213
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -42.581
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -57.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -584.965878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.965878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.965878 (E_RNA)
where:
Base-Base interactions energy: -394.729
where: short stacking energy: -173.264
Base-Backbone interact. energy: 1.456
local terms energy: -191.693225
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -61.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -567.292801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.292801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.292801 (E_RNA)
where:
Base-Base interactions energy: -372.076
where: short stacking energy: -173.324
Base-Backbone interact. energy: -1.177
local terms energy: -194.039869
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -42.113
flat angles C4'-P-C4' energy: -36.521
flat angles P-C4'-P energy: -31.479
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: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -538.641792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.641792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.641792 (E_RNA)
where:
Base-Base interactions energy: -347.820
where: short stacking energy: -151.672
Base-Backbone interact. energy: -0.874
local terms energy: -189.947952
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -44.924
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -43.939
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: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -355.193222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.193222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.193222 (E_RNA)
where:
Base-Base interactions energy: -202.274
where: short stacking energy: -93.893
Base-Backbone interact. energy: -0.640
local terms energy: -152.279610
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -41.067
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -23.238
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -338.377216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.377216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.377216 (E_RNA)
where:
Base-Base interactions energy: -206.207
where: short stacking energy: -105.085
Base-Backbone interact. energy: 0.503
local terms energy: -132.673200
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -197.129416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.129416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.129416 (E_RNA)
where:
Base-Base interactions energy: -75.654
where: short stacking energy: -51.524
Base-Backbone interact. energy: 1.278
local terms energy: -122.752945
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -43.211
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -5.633
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: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -166.975955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.975955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.975955 (E_RNA)
where:
Base-Base interactions energy: -67.803
where: short stacking energy: -61.836
Base-Backbone interact. energy: 0.556
local terms energy: -99.728675
where:
bonds (distance) C4'-P energy: -35.382
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: 4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -666.477492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.477492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.477492 (E_RNA)
where:
Base-Base interactions energy: -461.184
where: short stacking energy: -180.959
Base-Backbone interact. energy: -1.001
local terms energy: -204.293372
where:
bonds (distance) C4'-P energy: -32.117
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -59.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -662.581897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.581897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.581897 (E_RNA)
where:
Base-Base interactions energy: -441.492
where: short stacking energy: -208.968
Base-Backbone interact. energy: 0.479
local terms energy: -221.568725
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -37.971
flat angles C4'-P-C4' energy: -48.275
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -66.611
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: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -604.407774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.407774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.407774 (E_RNA)
where:
Base-Base interactions energy: -405.151
where: short stacking energy: -168.322
Base-Backbone interact. energy: -0.070
local terms energy: -199.186859
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -42.788
flat angles P-C4'-P energy: -27.115
tors. eta vs tors. theta energy: -58.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -618.746901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.746901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.746901 (E_RNA)
where:
Base-Base interactions energy: -413.894
where: short stacking energy: -180.154
Base-Backbone interact. energy: -1.686
local terms energy: -203.167260
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -48.015
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -55.155
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -574.942687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.942687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.942687 (E_RNA)
where:
Base-Base interactions energy: -371.405
where: short stacking energy: -181.404
Base-Backbone interact. energy: -2.021
local terms energy: -201.516246
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -60.158
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -541.536661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.536661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.536661 (E_RNA)
where:
Base-Base interactions energy: -370.121
where: short stacking energy: -154.925
Base-Backbone interact. energy: -1.553
local terms energy: -169.863345
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -23.081
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: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -386.832625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.832625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.832625 (E_RNA)
where:
Base-Base interactions energy: -244.372
where: short stacking energy: -114.933
Base-Backbone interact. energy: -0.339
local terms energy: -142.121539
where:
bonds (distance) C4'-P energy: -35.336
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -22.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -327.066873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.066873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.066873 (E_RNA)
where:
Base-Base interactions energy: -174.943
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.480
local terms energy: -151.644172
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -192.775699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.775699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.775699 (E_RNA)
where:
Base-Base interactions energy: -73.103
where: short stacking energy: -57.047
Base-Backbone interact. energy: 1.266
local terms energy: -120.938102
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -36.798
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: 4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -182.433716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.433716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.433716 (E_RNA)
where:
Base-Base interactions energy: -75.217
where: short stacking energy: -46.608
Base-Backbone interact. energy: -0.724
local terms energy: -106.492887
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -19.221
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: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -659.055559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.055559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.055559 (E_RNA)
where:
Base-Base interactions energy: -451.320
where: short stacking energy: -174.326
Base-Backbone interact. energy: -0.279
local terms energy: -207.456240
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -41.203
flat angles C4'-P-C4' energy: -42.104
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -55.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -648.161555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.161555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.161555 (E_RNA)
where:
Base-Base interactions energy: -421.087
where: short stacking energy: -193.346
Base-Backbone interact. energy: -0.738
local terms energy: -226.336342
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -41.133
flat angles C4'-P-C4' energy: -46.832
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -62.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -631.711353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.711353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.711353 (E_RNA)
where:
Base-Base interactions energy: -419.290
where: short stacking energy: -185.924
Base-Backbone interact. energy: -0.642
local terms energy: -211.779113
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -41.734
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -63.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -612.996359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.996359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.996359 (E_RNA)
where:
Base-Base interactions energy: -407.092
where: short stacking energy: -187.303
Base-Backbone interact. energy: -0.677
local terms energy: -205.227989
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -42.191
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -60.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -560.747011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.747011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.747011 (E_RNA)
where:
Base-Base interactions energy: -381.820
where: short stacking energy: -172.942
Base-Backbone interact. energy: -0.585
local terms energy: -178.341847
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -40.719
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -48.667
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -576.110656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.110656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.110656 (E_RNA)
where:
Base-Base interactions energy: -372.090
where: short stacking energy: -165.124
Base-Backbone interact. energy: -1.052
local terms energy: -202.968378
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -46.471
flat angles P-C4'-P energy: -28.952
tors. eta vs tors. theta energy: -54.506
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: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -440.622766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.622766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.622766 (E_RNA)
where:
Base-Base interactions energy: -262.981
where: short stacking energy: -134.636
Base-Backbone interact. energy: -1.541
local terms energy: -176.100521
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -40.782
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -39.367
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: 419
Temperature: 1.250000
Total energy: -365.432042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.432042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.432042 (E_RNA)
where:
Base-Base interactions energy: -219.747
where: short stacking energy: -108.486
Base-Backbone interact. energy: -1.321
local terms energy: -144.363869
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -211.553369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.553369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.553369 (E_RNA)
where:
Base-Base interactions energy: -79.668
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.864
local terms energy: -131.021759
where:
bonds (distance) C4'-P energy: -30.731
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -173.851044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.851044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.851044 (E_RNA)
where:
Base-Base interactions energy: -64.090
where: short stacking energy: -50.303
Base-Backbone interact. energy: -0.800
local terms energy: -108.961776
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -649.423503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.423503 (E_RNA)
where:
Base-Base interactions energy: -448.635
where: short stacking energy: -171.468
Base-Backbone interact. energy: -0.861
local terms energy: -199.927586
where:
bonds (distance) C4'-P energy: -39.069
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -47.666
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -61.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -651.516247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.516247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.516247 (E_RNA)
where:
Base-Base interactions energy: -444.637
where: short stacking energy: -210.604
Base-Backbone interact. energy: 0.592
local terms energy: -207.472166
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -44.865
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -66.028
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: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -627.892003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.892003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.892003 (E_RNA)
where:
Base-Base interactions energy: -423.642
where: short stacking energy: -184.041
Base-Backbone interact. energy: -0.205
local terms energy: -204.045286
where:
bonds (distance) C4'-P energy: -40.093
bonds (distance) P-C4' energy: -42.342
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -60.166
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: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -612.050055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.050055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.050055 (E_RNA)
where:
Base-Base interactions energy: -419.590
where: short stacking energy: -170.169
Base-Backbone interact. energy: -0.414
local terms energy: -192.045712
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -38.427
flat angles C4'-P-C4' energy: -41.008
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -49.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -597.104474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.104474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.104474 (E_RNA)
where:
Base-Base interactions energy: -388.577
where: short stacking energy: -177.518
Base-Backbone interact. energy: -1.001
local terms energy: -207.525795
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -32.263
tors. eta vs tors. theta energy: -59.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -562.236259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.236259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.236259 (E_RNA)
where:
Base-Base interactions energy: -367.946
where: short stacking energy: -171.795
Base-Backbone interact. energy: -0.164
local terms energy: -194.125725
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -37.763
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -53.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -393.919701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.919701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.919701 (E_RNA)
where:
Base-Base interactions energy: -259.114
where: short stacking energy: -128.732
Base-Backbone interact. energy: -0.581
local terms energy: -134.224700
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -383.861708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.861708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.861708 (E_RNA)
where:
Base-Base interactions energy: -240.104
where: short stacking energy: -103.223
Base-Backbone interact. energy: -0.181
local terms energy: -143.576644
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -27.719
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: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -180.928544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.928544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.928544 (E_RNA)
where:
Base-Base interactions energy: -56.696
where: short stacking energy: -48.464
Base-Backbone interact. energy: -0.609
local terms energy: -123.623436
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -24.357
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -186.855600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.855600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.855600 (E_RNA)
where:
Base-Base interactions energy: -84.374
where: short stacking energy: -58.025
Base-Backbone interact. energy: 2.532
local terms energy: -105.013449
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: 7.605
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: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -659.148082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.148082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.148082 (E_RNA)
where:
Base-Base interactions energy: -441.682
where: short stacking energy: -171.260
Base-Backbone interact. energy: -0.479
local terms energy: -216.987492
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -45.691
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -60.770
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -647.016390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.016390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.016390 (E_RNA)
where:
Base-Base interactions energy: -442.403
where: short stacking energy: -197.410
Base-Backbone interact. energy: -1.450
local terms energy: -203.163444
where:
bonds (distance) C4'-P energy: -30.620
bonds (distance) P-C4' energy: -40.221
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -32.580
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: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -629.796014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.796014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.796014 (E_RNA)
where:
Base-Base interactions energy: -430.936
where: short stacking energy: -200.411
Base-Backbone interact. energy: -0.267
local terms energy: -198.593390
where:
bonds (distance) C4'-P energy: -38.282
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -36.976
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -59.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -623.768945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.768945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.768945 (E_RNA)
where:
Base-Base interactions energy: -432.751
where: short stacking energy: -185.053
Base-Backbone interact. energy: 0.585
local terms energy: -191.603880
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -39.003
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -29.705
tors. eta vs tors. theta energy: -56.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -590.831859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.831859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.831859 (E_RNA)
where:
Base-Base interactions energy: -381.359
where: short stacking energy: -166.528
Base-Backbone interact. energy: 0.031
local terms energy: -209.503684
where:
bonds (distance) C4'-P energy: -41.015
bonds (distance) P-C4' energy: -38.483
flat angles C4'-P-C4' energy: -47.222
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -54.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -533.623875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.623875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.623875 (E_RNA)
where:
Base-Base interactions energy: -358.916
where: short stacking energy: -164.624
Base-Backbone interact. energy: -1.240
local terms energy: -173.468127
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -39.324
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -46.562
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: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -385.914856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.914856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.914856 (E_RNA)
where:
Base-Base interactions energy: -241.042
where: short stacking energy: -125.539
Base-Backbone interact. energy: -0.385
local terms energy: -144.488405
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -34.626
flat angles C4'-P-C4' energy: -34.290
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -28.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -344.693326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.693326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.693326 (E_RNA)
where:
Base-Base interactions energy: -192.123
where: short stacking energy: -92.552
Base-Backbone interact. energy: -0.110
local terms energy: -152.460924
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -41.735
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -181.224172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.224172 (E_RNA)
where:
Base-Base interactions energy: -58.934
where: short stacking energy: -54.149
Base-Backbone interact. energy: 0.820
local terms energy: -123.110518
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -35.923
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -158.670215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.670215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.670215 (E_RNA)
where:
Base-Base interactions energy: -60.700
where: short stacking energy: -53.100
Base-Backbone interact. energy: 0.568
local terms energy: -98.538438
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: 2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -654.642904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.642904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.642904 (E_RNA)
where:
Base-Base interactions energy: -443.765
where: short stacking energy: -161.837
Base-Backbone interact. energy: -1.917
local terms energy: -208.960793
where:
bonds (distance) C4'-P energy: -37.438
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -45.741
flat angles P-C4'-P energy: -34.387
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: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -651.033547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.033547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.033547 (E_RNA)
where:
Base-Base interactions energy: -431.611
where: short stacking energy: -203.812
Base-Backbone interact. energy: -0.530
local terms energy: -218.892204
where:
bonds (distance) C4'-P energy: -41.998
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -34.148
tors. eta vs tors. theta energy: -62.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -627.183601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.183601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.183601 (E_RNA)
where:
Base-Base interactions energy: -417.141
where: short stacking energy: -191.771
Base-Backbone interact. energy: -0.117
local terms energy: -209.925387
where:
bonds (distance) C4'-P energy: -38.313
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -61.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -611.915410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.915410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.915410 (E_RNA)
where:
Base-Base interactions energy: -416.223
where: short stacking energy: -179.253
Base-Backbone interact. energy: -0.412
local terms energy: -195.280265
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -32.176
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -603.063750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.063750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.063750 (E_RNA)
where:
Base-Base interactions energy: -396.868
where: short stacking energy: -181.535
Base-Backbone interact. energy: 1.076
local terms energy: -207.272037
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -63.375
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: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -549.242233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.242233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.242233 (E_RNA)
where:
Base-Base interactions energy: -355.796
where: short stacking energy: -152.334
Base-Backbone interact. energy: -0.375
local terms energy: -193.071109
where:
bonds (distance) C4'-P energy: -44.406
bonds (distance) P-C4' energy: -43.697
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -44.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -401.655315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.655315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.655315 (E_RNA)
where:
Base-Base interactions energy: -250.823
where: short stacking energy: -105.033
Base-Backbone interact. energy: 3.772
local terms energy: -154.604179
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -44.010
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -27.943
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: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -352.105678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.105678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.105678 (E_RNA)
where:
Base-Base interactions energy: -207.228
where: short stacking energy: -92.705
Base-Backbone interact. energy: -1.024
local terms energy: -143.853436
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -38.008
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -185.792818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792818 (E_RNA)
where:
Base-Base interactions energy: -67.893
where: short stacking energy: -45.665
Base-Backbone interact. energy: 2.097
local terms energy: -119.996044
where:
bonds (distance) C4'-P energy: -36.474
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -26.391
tors. eta vs tors. theta energy: 8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -174.541031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.541031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.541031 (E_RNA)
where:
Base-Base interactions energy: -66.925
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.369
local terms energy: -107.247232
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -0.959
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -664.124006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.124006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.124006 (E_RNA)
where:
Base-Base interactions energy: -451.001
where: short stacking energy: -184.172
Base-Backbone interact. energy: -1.591
local terms energy: -211.531768
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -45.584
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -60.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -649.723016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.723016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.723016 (E_RNA)
where:
Base-Base interactions energy: -431.096
where: short stacking energy: -200.354
Base-Backbone interact. energy: -1.382
local terms energy: -217.245334
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -45.324
flat angles P-C4'-P energy: -31.054
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -621.362987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.362987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.362987 (E_RNA)
where:
Base-Base interactions energy: -413.272
where: short stacking energy: -183.985
Base-Backbone interact. energy: -0.268
local terms energy: -207.823335
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -57.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -593.237896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.237896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.237896 (E_RNA)
where:
Base-Base interactions energy: -398.290
where: short stacking energy: -178.216
Base-Backbone interact. energy: -0.144
local terms energy: -194.803867
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -38.990
flat angles C4'-P-C4' energy: -36.534
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -60.552
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: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -602.266053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.266053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.266053 (E_RNA)
where:
Base-Base interactions energy: -398.787
where: short stacking energy: -161.349
Base-Backbone interact. energy: -1.128
local terms energy: -202.350953
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -44.899
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -60.073
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -541.993042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.993042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.993042 (E_RNA)
where:
Base-Base interactions energy: -347.308
where: short stacking energy: -154.235
Base-Backbone interact. energy: -0.054
local terms energy: -194.630463
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -40.610
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -50.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -390.794237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.794237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.794237 (E_RNA)
where:
Base-Base interactions energy: -229.034
where: short stacking energy: -109.849
Base-Backbone interact. energy: -1.271
local terms energy: -160.489077
where:
bonds (distance) C4'-P energy: -29.444
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -25.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -356.527588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.527588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.527588 (E_RNA)
where:
Base-Base interactions energy: -212.283
where: short stacking energy: -90.281
Base-Backbone interact. energy: -2.104
local terms energy: -142.140232
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -40.141
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -181.968030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.968030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.968030 (E_RNA)
where:
Base-Base interactions energy: -49.477
where: short stacking energy: -46.611
Base-Backbone interact. energy: -0.466
local terms energy: -132.024355
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -35.061
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -170.479720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.479720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.479720 (E_RNA)
where:
Base-Base interactions energy: -70.345
where: short stacking energy: -39.411
Base-Backbone interact. energy: 0.527
local terms energy: -100.661847
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -28.747
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: 4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -669.010374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.010374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.010374 (E_RNA)
where:
Base-Base interactions energy: -467.183
where: short stacking energy: -178.268
Base-Backbone interact. energy: -0.522
local terms energy: -201.305242
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -59.158
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -650.487516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.487516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.487516 (E_RNA)
where:
Base-Base interactions energy: -438.248
where: short stacking energy: -199.014
Base-Backbone interact. energy: 3.214
local terms energy: -215.453621
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -42.292
flat angles C4'-P-C4' energy: -50.314
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -59.271
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: 424
Temperature: 1.000000
Total energy: -599.785209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.785209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.785209 (E_RNA)
where:
Base-Base interactions energy: -401.673
where: short stacking energy: -177.668
Base-Backbone interact. energy: -0.385
local terms energy: -197.726751
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -37.023
flat angles C4'-P-C4' energy: -41.830
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -56.775
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: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -622.834694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.834694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.834694 (E_RNA)
where:
Base-Base interactions energy: -414.358
where: short stacking energy: -187.982
Base-Backbone interact. energy: -0.011
local terms energy: -208.464938
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -42.907
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -61.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -609.558960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.558960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.558960 (E_RNA)
where:
Base-Base interactions energy: -413.542
where: short stacking energy: -177.098
Base-Backbone interact. energy: -0.329
local terms energy: -195.687378
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -37.780
flat angles C4'-P-C4' energy: -43.589
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -59.579
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: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -520.383275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.383275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.383275 (E_RNA)
where:
Base-Base interactions energy: -338.973
where: short stacking energy: -144.354
Base-Backbone interact. energy: 2.510
local terms energy: -183.920460
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -37.517
flat angles C4'-P-C4' energy: -40.981
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -44.006
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: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -338.473196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.473196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.473196 (E_RNA)
where:
Base-Base interactions energy: -189.361
where: short stacking energy: -93.699
Base-Backbone interact. energy: -0.862
local terms energy: -148.250135
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -37.685
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -381.360292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.360292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.360292 (E_RNA)
where:
Base-Base interactions energy: -224.794
where: short stacking energy: -97.703
Base-Backbone interact. energy: -0.163
local terms energy: -156.403893
where:
bonds (distance) C4'-P energy: -43.175
bonds (distance) P-C4' energy: -38.824
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -198.829401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.829401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.829401 (E_RNA)
where:
Base-Base interactions energy: -79.462
where: short stacking energy: -45.312
Base-Backbone interact. energy: -1.621
local terms energy: -117.746828
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: 5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -182.596072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.596072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.596072 (E_RNA)
where:
Base-Base interactions energy: -67.871
where: short stacking energy: -58.461
Base-Backbone interact. energy: 0.153
local terms energy: -114.878225
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -40.042
flat angles P-C4'-P energy: -11.993
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -676.132519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.132519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.132519 (E_RNA)
where:
Base-Base interactions energy: -453.351
where: short stacking energy: -180.654
Base-Backbone interact. energy: -1.789
local terms energy: -220.991950
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -46.648
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -59.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -656.640484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.640484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.640484 (E_RNA)
where:
Base-Base interactions energy: -441.915
where: short stacking energy: -205.229
Base-Backbone interact. energy: -1.693
local terms energy: -213.032485
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -47.658
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -60.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -600.063954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.063954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.063954 (E_RNA)
where:
Base-Base interactions energy: -414.296
where: short stacking energy: -167.536
Base-Backbone interact. energy: 0.245
local terms energy: -186.012436
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -38.685
flat angles C4'-P-C4' energy: -44.537
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -52.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -610.889500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.889500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.889500 (E_RNA)
where:
Base-Base interactions energy: -412.822
where: short stacking energy: -170.497
Base-Backbone interact. energy: -0.379
local terms energy: -197.688094
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -41.692
flat angles C4'-P-C4' energy: -38.153
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -49.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -608.599236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.599236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.599236 (E_RNA)
where:
Base-Base interactions energy: -399.685
where: short stacking energy: -165.526
Base-Backbone interact. energy: -2.352
local terms energy: -206.562419
where:
bonds (distance) C4'-P energy: -36.233
bonds (distance) P-C4' energy: -39.144
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -54.661
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -541.512423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.512423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.512423 (E_RNA)
where:
Base-Base interactions energy: -346.035
where: short stacking energy: -161.647
Base-Backbone interact. energy: -0.895
local terms energy: -194.582077
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -47.242
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -45.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -344.973094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.973094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.973094 (E_RNA)
where:
Base-Base interactions energy: -206.715
where: short stacking energy: -93.906
Base-Backbone interact. energy: -0.528
local terms energy: -137.730022
where:
bonds (distance) C4'-P energy: -37.621
bonds (distance) P-C4' energy: -37.000
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -365.835799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.835799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.835799 (E_RNA)
where:
Base-Base interactions energy: -203.536
where: short stacking energy: -108.482
Base-Backbone interact. energy: -1.624
local terms energy: -160.675424
where:
bonds (distance) C4'-P energy: -30.388
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -27.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -176.339960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.339960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.339960 (E_RNA)
where:
Base-Base interactions energy: -60.445
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.352
local terms energy: -115.542715
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -37.846
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -172.696106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.696106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.696106 (E_RNA)
where:
Base-Base interactions energy: -62.242
where: short stacking energy: -53.231
Base-Backbone interact. energy: 0.834
local terms energy: -111.287359
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -35.765
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -684.128145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.128145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.128145 (E_RNA)
where:
Base-Base interactions energy: -470.323
where: short stacking energy: -200.197
Base-Backbone interact. energy: -0.818
local terms energy: -212.987201
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -43.704
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -63.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -656.150358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.150358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.150358 (E_RNA)
where:
Base-Base interactions energy: -452.925
where: short stacking energy: -207.581
Base-Backbone interact. energy: 0.436
local terms energy: -203.661812
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -42.845
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -64.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -598.055161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.055161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.055161 (E_RNA)
where:
Base-Base interactions energy: -390.055
where: short stacking energy: -182.222
Base-Backbone interact. energy: -0.182
local terms energy: -207.818332
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -42.797
flat angles C4'-P-C4' energy: -44.891
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -59.516
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: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -614.004629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.004629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.004629 (E_RNA)
where:
Base-Base interactions energy: -408.040
where: short stacking energy: -161.912
Base-Backbone interact. energy: -0.198
local terms energy: -205.766579
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -37.393
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -55.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -537.270031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.270031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.270031 (E_RNA)
where:
Base-Base interactions energy: -362.167
where: short stacking energy: -165.937
Base-Backbone interact. energy: 0.014
local terms energy: -175.117116
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -42.720
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: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -581.635816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.635816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.635816 (E_RNA)
where:
Base-Base interactions energy: -383.212
where: short stacking energy: -167.104
Base-Backbone interact. energy: -0.498
local terms energy: -197.925237
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -51.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -367.946840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.946840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.946840 (E_RNA)
where:
Base-Base interactions energy: -226.560
where: short stacking energy: -106.543
Base-Backbone interact. energy: 0.339
local terms energy: -141.725569
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -329.138533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.138533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.138533 (E_RNA)
where:
Base-Base interactions energy: -187.214
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.533
local terms energy: -141.391733
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -38.333
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -183.104682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.104682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.104682 (E_RNA)
where:
Base-Base interactions energy: -82.779
where: short stacking energy: -55.287
Base-Backbone interact. energy: 0.282
local terms energy: -100.607321
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -0.104
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: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -162.873892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.873892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.873892 (E_RNA)
where:
Base-Base interactions energy: -59.003
where: short stacking energy: -53.739
Base-Backbone interact. energy: 0.195
local terms energy: -104.065796
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -683.627678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.627678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.627678 (E_RNA)
where:
Base-Base interactions energy: -464.694
where: short stacking energy: -201.225
Base-Backbone interact. energy: -1.166
local terms energy: -217.767387
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -41.193
flat angles C4'-P-C4' energy: -44.644
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -65.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -667.720841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.720841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.720841 (E_RNA)
where:
Base-Base interactions energy: -439.281
where: short stacking energy: -206.962
Base-Backbone interact. energy: 1.783
local terms energy: -230.222536
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -40.726
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -65.016
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: 427
Temperature: 1.000000
Total energy: -609.130546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.130546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.130546 (E_RNA)
where:
Base-Base interactions energy: -398.957
where: short stacking energy: -174.600
Base-Backbone interact. energy: -0.686
local terms energy: -209.487598
where:
bonds (distance) C4'-P energy: -36.864
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -57.803
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: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -621.926229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.926229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.926229 (E_RNA)
where:
Base-Base interactions energy: -415.495
where: short stacking energy: -183.012
Base-Backbone interact. energy: -0.096
local terms energy: -206.335894
where:
bonds (distance) C4'-P energy: -38.936
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -56.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -542.852636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.852636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.852636 (E_RNA)
where:
Base-Base interactions energy: -367.455
where: short stacking energy: -165.396
Base-Backbone interact. energy: -0.584
local terms energy: -174.813717
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -41.490
flat angles C4'-P-C4' energy: -34.806
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -47.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -577.057230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.057230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.057230 (E_RNA)
where:
Base-Base interactions energy: -391.717
where: short stacking energy: -177.152
Base-Backbone interact. energy: 0.355
local terms energy: -185.695787
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: -58.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -365.756309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.756309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.756309 (E_RNA)
where:
Base-Base interactions energy: -214.464
where: short stacking energy: -90.211
Base-Backbone interact. energy: -2.244
local terms energy: -149.048753
where:
bonds (distance) C4'-P energy: -32.702
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -333.593786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.593786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.593786 (E_RNA)
where:
Base-Base interactions energy: -183.168
where: short stacking energy: -94.596
Base-Backbone interact. energy: -0.136
local terms energy: -150.289400
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -182.443073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.443073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.443073 (E_RNA)
where:
Base-Base interactions energy: -49.573
where: short stacking energy: -47.110
Base-Backbone interact. energy: 0.810
local terms energy: -133.679939
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -185.532432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.532432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.532432 (E_RNA)
where:
Base-Base interactions energy: -72.638
where: short stacking energy: -48.471
Base-Backbone interact. energy: -0.068
local terms energy: -112.826449
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -664.566760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.566760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.566760 (E_RNA)
where:
Base-Base interactions energy: -450.055
where: short stacking energy: -207.780
Base-Backbone interact. energy: 0.712
local terms energy: -215.223538
where:
bonds (distance) C4'-P energy: -40.022
bonds (distance) P-C4' energy: -41.418
flat angles C4'-P-C4' energy: -42.356
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -61.755
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: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -657.251926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.251926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.251926 (E_RNA)
where:
Base-Base interactions energy: -442.047
where: short stacking energy: -182.015
Base-Backbone interact. energy: -0.089
local terms energy: -215.115865
where:
bonds (distance) C4'-P energy: -43.221
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -49.242
flat angles P-C4'-P energy: -28.579
tors. eta vs tors. theta energy: -61.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -638.751260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.751260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.751260 (E_RNA)
where:
Base-Base interactions energy: -450.051
where: short stacking energy: -193.251
Base-Backbone interact. energy: 0.942
local terms energy: -189.643035
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -44.636
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -54.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -609.175028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.175028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.175028 (E_RNA)
where:
Base-Base interactions energy: -401.971
where: short stacking energy: -182.804
Base-Backbone interact. energy: -0.562
local terms energy: -206.642286
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -54.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -590.734082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.734082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.734082 (E_RNA)
where:
Base-Base interactions energy: -383.641
where: short stacking energy: -166.002
Base-Backbone interact. energy: -0.246
local terms energy: -206.847527
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -41.387
flat angles C4'-P-C4' energy: -42.149
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -55.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -541.852788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.852788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.852788 (E_RNA)
where:
Base-Base interactions energy: -353.852
where: short stacking energy: -163.429
Base-Backbone interact. energy: -0.536
local terms energy: -187.464883
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -50.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -363.080963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.080963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.080963 (E_RNA)
where:
Base-Base interactions energy: -213.193
where: short stacking energy: -106.137
Base-Backbone interact. energy: 0.868
local terms energy: -150.755476
where:
bonds (distance) C4'-P energy: -41.157
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -362.980673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.980673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.980673 (E_RNA)
where:
Base-Base interactions energy: -205.956
where: short stacking energy: -91.190
Base-Backbone interact. energy: -1.016
local terms energy: -156.008945
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -25.755
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: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -206.555486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.555486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.555486 (E_RNA)
where:
Base-Base interactions energy: -96.204
where: short stacking energy: -64.053
Base-Backbone interact. energy: 3.597
local terms energy: -113.947922
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -8.564
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: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -184.281465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.281465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.281465 (E_RNA)
where:
Base-Base interactions energy: -76.690
where: short stacking energy: -44.502
Base-Backbone interact. energy: 0.824
local terms energy: -108.415672
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: 5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -664.131631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.131631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.131631 (E_RNA)
where:
Base-Base interactions energy: -441.260
where: short stacking energy: -202.486
Base-Backbone interact. energy: -0.390
local terms energy: -222.480928
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -47.286
flat angles P-C4'-P energy: -36.081
tors. eta vs tors. theta energy: -63.361
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: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -651.490183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.490183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.490183 (E_RNA)
where:
Base-Base interactions energy: -444.436
where: short stacking energy: -196.449
Base-Backbone interact. energy: -1.441
local terms energy: -205.613463
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -37.166
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -60.171
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: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -638.481562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.481562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.481562 (E_RNA)
where:
Base-Base interactions energy: -451.487
where: short stacking energy: -186.866
Base-Backbone interact. energy: -0.177
local terms energy: -186.818223
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -61.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -613.259729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.259729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.259729 (E_RNA)
where:
Base-Base interactions energy: -414.831
where: short stacking energy: -181.006
Base-Backbone interact. energy: 0.131
local terms energy: -198.559316
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -41.356
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -58.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -568.078732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.078732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.078732 (E_RNA)
where:
Base-Base interactions energy: -372.260
where: short stacking energy: -153.348
Base-Backbone interact. energy: -0.452
local terms energy: -195.366236
where:
bonds (distance) C4'-P energy: -34.230
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -44.178
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -52.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -528.862392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.862392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.862392 (E_RNA)
where:
Base-Base interactions energy: -350.963
where: short stacking energy: -160.896
Base-Backbone interact. energy: -0.051
local terms energy: -177.848444
where:
bonds (distance) C4'-P energy: -38.271
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -39.887
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -50.613
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: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -360.192384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.192384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.192384 (E_RNA)
where:
Base-Base interactions energy: -212.795
where: short stacking energy: -104.969
Base-Backbone interact. energy: -0.685
local terms energy: -146.712988
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -343.724898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.724898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.724898 (E_RNA)
where:
Base-Base interactions energy: -197.206
where: short stacking energy: -102.588
Base-Backbone interact. energy: -2.391
local terms energy: -144.128631
where:
bonds (distance) C4'-P energy: -30.653
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -190.765013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.765013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.765013 (E_RNA)
where:
Base-Base interactions energy: -62.102
where: short stacking energy: -51.928
Base-Backbone interact. energy: -0.184
local terms energy: -128.479343
where:
bonds (distance) C4'-P energy: -43.502
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -176.772095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.772095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.772095 (E_RNA)
where:
Base-Base interactions energy: -65.093
where: short stacking energy: -47.853
Base-Backbone interact. energy: -1.579
local terms energy: -110.100257
where:
bonds (distance) C4'-P energy: -36.388
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -678.390732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.390732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.390732 (E_RNA)
where:
Base-Base interactions energy: -454.844
where: short stacking energy: -209.152
Base-Backbone interact. energy: -0.317
local terms energy: -223.228894
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -61.466
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: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -674.406874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.406874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.406874 (E_RNA)
where:
Base-Base interactions energy: -455.629
where: short stacking energy: -196.199
Base-Backbone interact. energy: -0.678
local terms energy: -218.099439
where:
bonds (distance) C4'-P energy: -40.996
bonds (distance) P-C4' energy: -42.875
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -57.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -656.536742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.536742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.536742 (E_RNA)
where:
Base-Base interactions energy: -446.128
where: short stacking energy: -172.594
Base-Backbone interact. energy: -0.225
local terms energy: -210.184155
where:
bonds (distance) C4'-P energy: -37.960
bonds (distance) P-C4' energy: -39.326
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -58.498
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: 430
Temperature: 1.050000
Total energy: -615.699395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.699395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.699395 (E_RNA)
where:
Base-Base interactions energy: -416.113
where: short stacking energy: -186.247
Base-Backbone interact. energy: 0.429
local terms energy: -200.015996
where:
bonds (distance) C4'-P energy: -34.166
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -59.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -576.346260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.346260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.346260 (E_RNA)
where:
Base-Base interactions energy: -382.174
where: short stacking energy: -166.321
Base-Backbone interact. energy: -0.314
local terms energy: -193.858662
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -57.568
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: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -542.216443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.216443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.216443 (E_RNA)
where:
Base-Base interactions energy: -344.316
where: short stacking energy: -154.075
Base-Backbone interact. energy: -1.222
local terms energy: -196.678495
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -46.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -380.611370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.611370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.611370 (E_RNA)
where:
Base-Base interactions energy: -220.403
where: short stacking energy: -109.760
Base-Backbone interact. energy: 0.215
local terms energy: -160.423276
where:
bonds (distance) C4'-P energy: -31.965
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -27.231
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: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -362.176696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.176696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.176696 (E_RNA)
where:
Base-Base interactions energy: -208.172
where: short stacking energy: -111.471
Base-Backbone interact. energy: 3.150
local terms energy: -157.154586
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -219.440147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.440147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.440147 (E_RNA)
where:
Base-Base interactions energy: -91.748
where: short stacking energy: -58.789
Base-Backbone interact. energy: 0.042
local terms energy: -127.733901
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -186.506528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.506528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.506528 (E_RNA)
where:
Base-Base interactions energy: -74.292
where: short stacking energy: -65.327
Base-Backbone interact. energy: 0.084
local terms energy: -112.298160
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -7.163
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: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -666.563326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.563326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.563326 (E_RNA)
where:
Base-Base interactions energy: -452.359
where: short stacking energy: -213.843
Base-Backbone interact. energy: -1.109
local terms energy: -213.094903
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -48.864
flat angles P-C4'-P energy: -31.033
tors. eta vs tors. theta energy: -63.466
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: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -658.646034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.646034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.646034 (E_RNA)
where:
Base-Base interactions energy: -440.276
where: short stacking energy: -197.310
Base-Backbone interact. energy: -0.499
local terms energy: -217.871017
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -40.893
flat angles C4'-P-C4' energy: -40.848
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -64.394
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: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -645.111653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.111653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.111653 (E_RNA)
where:
Base-Base interactions energy: -442.054
where: short stacking energy: -178.756
Base-Backbone interact. energy: -1.102
local terms energy: -201.955610
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -39.631
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -60.930
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: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -610.343056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.343056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.343056 (E_RNA)
where:
Base-Base interactions energy: -409.535
where: short stacking energy: -178.343
Base-Backbone interact. energy: -0.308
local terms energy: -200.500229
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -43.199
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -58.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -584.007810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.007810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.007810 (E_RNA)
where:
Base-Base interactions energy: -386.520
where: short stacking energy: -166.506
Base-Backbone interact. energy: -0.401
local terms energy: -197.087360
where:
bonds (distance) C4'-P energy: -37.317
bonds (distance) P-C4' energy: -38.545
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -50.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -545.194212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.194212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.194212 (E_RNA)
where:
Base-Base interactions energy: -356.727
where: short stacking energy: -154.169
Base-Backbone interact. energy: -0.345
local terms energy: -188.122615
where:
bonds (distance) C4'-P energy: -39.030
bonds (distance) P-C4' energy: -40.227
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -381.639957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.639957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.639957 (E_RNA)
where:
Base-Base interactions energy: -236.962
where: short stacking energy: -94.119
Base-Backbone interact. energy: 2.918
local terms energy: -147.595076
where:
bonds (distance) C4'-P energy: -39.287
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -350.132570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.132570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.132570 (E_RNA)
where:
Base-Base interactions energy: -202.781
where: short stacking energy: -100.027
Base-Backbone interact. energy: 0.164
local terms energy: -147.516293
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -194.488321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.488321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.488321 (E_RNA)
where:
Base-Base interactions energy: -61.913
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.019
local terms energy: -132.555827
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -177.203570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.203570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.203570 (E_RNA)
where:
Base-Base interactions energy: -53.184
where: short stacking energy: -51.473
Base-Backbone interact. energy: -0.342
local terms energy: -123.677608
where:
bonds (distance) C4'-P energy: -40.939
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -690.752204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.752204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.752204 (E_RNA)
where:
Base-Base interactions energy: -472.821
where: short stacking energy: -199.225
Base-Backbone interact. energy: -1.595
local terms energy: -216.336882
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -40.866
flat angles C4'-P-C4' energy: -41.577
flat angles P-C4'-P energy: -32.989
tors. eta vs tors. theta energy: -56.891
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: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -658.398273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.398273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.398273 (E_RNA)
where:
Base-Base interactions energy: -444.603
where: short stacking energy: -191.500
Base-Backbone interact. energy: -1.046
local terms energy: -212.748868
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -42.341
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -62.618
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: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -635.523210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.523210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.523210 (E_RNA)
where:
Base-Base interactions energy: -432.945
where: short stacking energy: -182.444
Base-Backbone interact. energy: -0.293
local terms energy: -202.285013
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -33.686
flat angles C4'-P-C4' energy: -43.528
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -54.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -624.173730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.173730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.173730 (E_RNA)
where:
Base-Base interactions energy: -431.700
where: short stacking energy: -172.815
Base-Backbone interact. energy: 0.369
local terms energy: -192.843070
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -40.630
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -61.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -557.704881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.704881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.704881 (E_RNA)
where:
Base-Base interactions energy: -362.742
where: short stacking energy: -158.325
Base-Backbone interact. energy: -1.535
local terms energy: -193.427359
where:
bonds (distance) C4'-P energy: -34.157
bonds (distance) P-C4' energy: -35.467
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -30.611
tors. eta vs tors. theta energy: -46.894
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: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -568.402469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.402469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.402469 (E_RNA)
where:
Base-Base interactions energy: -377.556
where: short stacking energy: -166.291
Base-Backbone interact. energy: 0.611
local terms energy: -191.457889
where:
bonds (distance) C4'-P energy: -32.643
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -25.601
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: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -367.927935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.927935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.927935 (E_RNA)
where:
Base-Base interactions energy: -202.468
where: short stacking energy: -87.083
Base-Backbone interact. energy: -1.182
local terms energy: -164.277923
where:
bonds (distance) C4'-P energy: -38.117
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -351.131746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.131746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.131746 (E_RNA)
where:
Base-Base interactions energy: -208.688
where: short stacking energy: -96.261
Base-Backbone interact. energy: -0.055
local terms energy: -142.389444
where:
bonds (distance) C4'-P energy: -42.555
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -184.424423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.424423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.424423 (E_RNA)
where:
Base-Base interactions energy: -72.992
where: short stacking energy: -54.200
Base-Backbone interact. energy: -1.146
local terms energy: -110.287247
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: 5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -187.943886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.943886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.943886 (E_RNA)
where:
Base-Base interactions energy: -77.095
where: short stacking energy: -50.386
Base-Backbone interact. energy: 3.832
local terms energy: -114.681327
where:
bonds (distance) C4'-P energy: -40.568
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -689.328338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.328338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.328338 (E_RNA)
where:
Base-Base interactions energy: -467.838
where: short stacking energy: -196.533
Base-Backbone interact. energy: -0.484
local terms energy: -221.007072
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -63.719
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -663.552131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.552131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.552131 (E_RNA)
where:
Base-Base interactions energy: -455.940
where: short stacking energy: -203.263
Base-Backbone interact. energy: -1.535
local terms energy: -206.077443
where:
bonds (distance) C4'-P energy: -37.868
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -60.918
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -630.315581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.315581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.315581 (E_RNA)
where:
Base-Base interactions energy: -418.016
where: short stacking energy: -184.640
Base-Backbone interact. energy: 0.422
local terms energy: -212.721546
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -43.146
flat angles C4'-P-C4' energy: -45.531
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -59.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -614.767620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.767620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.767620 (E_RNA)
where:
Base-Base interactions energy: -410.445
where: short stacking energy: -164.613
Base-Backbone interact. energy: -1.020
local terms energy: -203.303231
where:
bonds (distance) C4'-P energy: -33.419
bonds (distance) P-C4' energy: -40.028
flat angles C4'-P-C4' energy: -42.542
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -50.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -571.191596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.191596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.191596 (E_RNA)
where:
Base-Base interactions energy: -377.855
where: short stacking energy: -159.584
Base-Backbone interact. energy: -1.089
local terms energy: -192.247610
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -38.629
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -572.239069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.239069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.239069 (E_RNA)
where:
Base-Base interactions energy: -381.276
where: short stacking energy: -157.313
Base-Backbone interact. energy: -0.225
local terms energy: -190.738756
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -44.072
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -54.454
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: 433
Temperature: 1.200000
Total energy: -348.880375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.880375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.880375 (E_RNA)
where:
Base-Base interactions energy: -213.166
where: short stacking energy: -102.577
Base-Backbone interact. energy: -1.107
local terms energy: -134.607838
where:
bonds (distance) C4'-P energy: -27.696
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -15.181
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: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -357.017829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.017829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.017829 (E_RNA)
where:
Base-Base interactions energy: -194.823
where: short stacking energy: -96.472
Base-Backbone interact. energy: -0.636
local terms energy: -161.558626
where:
bonds (distance) C4'-P energy: -37.768
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -187.967064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.967064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.967064 (E_RNA)
where:
Base-Base interactions energy: -74.269
where: short stacking energy: -50.384
Base-Backbone interact. energy: 0.960
local terms energy: -114.657853
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: 4.103
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: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -197.277331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.277331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.277331 (E_RNA)
where:
Base-Base interactions energy: -72.830
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.825
local terms energy: -123.622392
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -38.196
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: 6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -687.447059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.447059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.447059 (E_RNA)
where:
Base-Base interactions energy: -460.698
where: short stacking energy: -189.143
Base-Backbone interact. energy: -2.172
local terms energy: -224.577182
where:
bonds (distance) C4'-P energy: -44.151
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -46.819
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -60.229
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: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -651.995135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.995135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.995135 (E_RNA)
where:
Base-Base interactions energy: -435.923
where: short stacking energy: -188.695
Base-Backbone interact. energy: 0.286
local terms energy: -216.358231
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -41.830
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -31.104
tors. eta vs tors. theta energy: -59.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -661.790231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.790231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.790231 (E_RNA)
where:
Base-Base interactions energy: -440.883
where: short stacking energy: -170.546
Base-Backbone interact. energy: -1.911
local terms energy: -218.995572
where:
bonds (distance) C4'-P energy: -41.464
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -33.552
tors. eta vs tors. theta energy: -64.002
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: 434
Temperature: 1.050000
Total energy: -605.823412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.823412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.823412 (E_RNA)
where:
Base-Base interactions energy: -403.228
where: short stacking energy: -176.422
Base-Backbone interact. energy: 0.897
local terms energy: -203.491593
where:
bonds (distance) C4'-P energy: -44.334
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -38.714
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -58.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -572.595218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.595218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.595218 (E_RNA)
where:
Base-Base interactions energy: -374.801
where: short stacking energy: -174.711
Base-Backbone interact. energy: -0.040
local terms energy: -197.754677
where:
bonds (distance) C4'-P energy: -41.532
bonds (distance) P-C4' energy: -34.706
flat angles C4'-P-C4' energy: -46.890
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -52.009
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: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -554.745305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.745305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.745305 (E_RNA)
where:
Base-Base interactions energy: -372.394
where: short stacking energy: -169.737
Base-Backbone interact. energy: 0.977
local terms energy: -183.328662
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -35.313
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -55.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -354.126870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.126870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.126870 (E_RNA)
where:
Base-Base interactions energy: -209.195
where: short stacking energy: -100.224
Base-Backbone interact. energy: -0.663
local terms energy: -144.269484
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -371.088411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.088411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.088411 (E_RNA)
where:
Base-Base interactions energy: -216.935
where: short stacking energy: -107.194
Base-Backbone interact. energy: -1.169
local terms energy: -152.983817
where:
bonds (distance) C4'-P energy: -30.350
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -191.263263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.263263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.263263 (E_RNA)
where:
Base-Base interactions energy: -82.298
where: short stacking energy: -64.461
Base-Backbone interact. energy: -1.218
local terms energy: -107.747158
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: 2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -179.406520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.406520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.406520 (E_RNA)
where:
Base-Base interactions energy: -76.169
where: short stacking energy: -53.401
Base-Backbone interact. energy: -0.783
local terms energy: -102.454646
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: 8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -679.774139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.774139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.774139 (E_RNA)
where:
Base-Base interactions energy: -457.727
where: short stacking energy: -199.041
Base-Backbone interact. energy: -2.378
local terms energy: -219.669249
where:
bonds (distance) C4'-P energy: -41.279
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -63.420
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: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -672.405652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.405652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.405652 (E_RNA)
where:
Base-Base interactions energy: -464.105
where: short stacking energy: -183.821
Base-Backbone interact. energy: -0.906
local terms energy: -207.394640
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -44.651
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -64.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -640.005606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.005606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.005606 (E_RNA)
where:
Base-Base interactions energy: -439.018
where: short stacking energy: -172.812
Base-Backbone interact. energy: -0.708
local terms energy: -200.279954
where:
bonds (distance) C4'-P energy: -39.223
bonds (distance) P-C4' energy: -40.396
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -611.804163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.804163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.804163 (E_RNA)
where:
Base-Base interactions energy: -407.209
where: short stacking energy: -191.227
Base-Backbone interact. energy: -0.499
local terms energy: -204.096163
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -44.889
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -56.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -568.973412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.973412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.973412 (E_RNA)
where:
Base-Base interactions energy: -370.970
where: short stacking energy: -156.397
Base-Backbone interact. energy: -0.405
local terms energy: -197.597622
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -41.657
flat angles C4'-P-C4' energy: -45.068
flat angles P-C4'-P energy: -27.045
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: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -567.718893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.718893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.718893 (E_RNA)
where:
Base-Base interactions energy: -366.704
where: short stacking energy: -161.868
Base-Backbone interact. energy: -0.126
local terms energy: -200.889071
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -41.545
flat angles C4'-P-C4' energy: -41.552
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -55.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -363.444653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.444653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.444653 (E_RNA)
where:
Base-Base interactions energy: -213.445
where: short stacking energy: -113.763
Base-Backbone interact. energy: -1.838
local terms energy: -148.160961
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -352.839798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.839798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.839798 (E_RNA)
where:
Base-Base interactions energy: -194.386
where: short stacking energy: -91.441
Base-Backbone interact. energy: -1.499
local terms energy: -156.954208
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -187.327744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.327744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.327744 (E_RNA)
where:
Base-Base interactions energy: -87.091
where: short stacking energy: -44.739
Base-Backbone interact. energy: 4.071
local terms energy: -104.307358
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: 9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -166.643656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.643656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.643656 (E_RNA)
where:
Base-Base interactions energy: -53.421
where: short stacking energy: -49.192
Base-Backbone interact. energy: -2.016
local terms energy: -111.206959
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -676.882588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.882588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.882588 (E_RNA)
where:
Base-Base interactions energy: -459.338
where: short stacking energy: -192.326
Base-Backbone interact. energy: 1.786
local terms energy: -219.330571
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: -60.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -677.323599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.323599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.323599 (E_RNA)
where:
Base-Base interactions energy: -482.314
where: short stacking energy: -185.282
Base-Backbone interact. energy: 0.354
local terms energy: -195.363948
where:
bonds (distance) C4'-P energy: -37.348
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -57.397
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -639.450173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.450173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.450173 (E_RNA)
where:
Base-Base interactions energy: -437.991
where: short stacking energy: -195.599
Base-Backbone interact. energy: -0.205
local terms energy: -201.254360
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -41.666
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -56.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -610.175065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.175065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.175065 (E_RNA)
where:
Base-Base interactions energy: -408.032
where: short stacking energy: -180.234
Base-Backbone interact. energy: 0.631
local terms energy: -202.773555
where:
bonds (distance) C4'-P energy: -42.241
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -40.903
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -53.555
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: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -563.874084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.874084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.874084 (E_RNA)
where:
Base-Base interactions energy: -382.808
where: short stacking energy: -163.072
Base-Backbone interact. energy: -1.294
local terms energy: -179.771964
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -37.329
flat angles P-C4'-P energy: -25.612
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -538.269710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.269710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.269710 (E_RNA)
where:
Base-Base interactions energy: -358.241
where: short stacking energy: -149.269
Base-Backbone interact. energy: 0.878
local terms energy: -180.906989
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -47.388
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -42.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -373.267922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.267922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.267922 (E_RNA)
where:
Base-Base interactions energy: -225.562
where: short stacking energy: -90.266
Base-Backbone interact. energy: -1.086
local terms energy: -146.620021
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -41.395
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -338.012702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.012702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.012702 (E_RNA)
where:
Base-Base interactions energy: -203.295
where: short stacking energy: -90.646
Base-Backbone interact. energy: 0.029
local terms energy: -134.746463
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -39.001
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -179.335673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.335673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.335673 (E_RNA)
where:
Base-Base interactions energy: -56.781
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.329
local terms energy: -122.225157
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: 0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -176.916923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.916923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.916923 (E_RNA)
where:
Base-Base interactions energy: -70.782
where: short stacking energy: -39.125
Base-Backbone interact. energy: -0.916
local terms energy: -105.219192
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -31.593
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: 14.124
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: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -676.591106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.591106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.591106 (E_RNA)
where:
Base-Base interactions energy: -456.712
where: short stacking energy: -203.569
Base-Backbone interact. energy: -1.299
local terms energy: -218.580023
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -39.640
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -36.200
tors. eta vs tors. theta energy: -60.150
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -652.205484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.205484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.205484 (E_RNA)
where:
Base-Base interactions energy: -457.783
where: short stacking energy: -173.421
Base-Backbone interact. energy: -0.325
local terms energy: -194.097542
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -21.119
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: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -653.575313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.575313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.575313 (E_RNA)
where:
Base-Base interactions energy: -445.183
where: short stacking energy: -185.534
Base-Backbone interact. energy: -0.849
local terms energy: -207.543908
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -41.067
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -55.612
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: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -615.971500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.971500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.971500 (E_RNA)
where:
Base-Base interactions energy: -396.423
where: short stacking energy: -179.244
Base-Backbone interact. energy: -0.112
local terms energy: -219.436017
where:
bonds (distance) C4'-P energy: -40.583
bonds (distance) P-C4' energy: -44.167
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -56.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -565.098242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.098242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.098242 (E_RNA)
where:
Base-Base interactions energy: -374.599
where: short stacking energy: -166.197
Base-Backbone interact. energy: 0.038
local terms energy: -190.537481
where:
bonds (distance) C4'-P energy: -36.014
bonds (distance) P-C4' energy: -41.020
flat angles C4'-P-C4' energy: -40.073
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -45.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -546.072689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.072689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.072689 (E_RNA)
where:
Base-Base interactions energy: -363.980
where: short stacking energy: -160.723
Base-Backbone interact. energy: 1.648
local terms energy: -183.740214
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -44.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -384.962604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.962604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.962604 (E_RNA)
where:
Base-Base interactions energy: -224.684
where: short stacking energy: -108.582
Base-Backbone interact. energy: -1.394
local terms energy: -158.884800
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -32.072
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -32.155
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: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -365.480795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.480795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.480795 (E_RNA)
where:
Base-Base interactions energy: -220.419
where: short stacking energy: -99.876
Base-Backbone interact. energy: -0.547
local terms energy: -144.514629
where:
bonds (distance) C4'-P energy: -38.833
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -187.873104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.873104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.873104 (E_RNA)
where:
Base-Base interactions energy: -75.894
where: short stacking energy: -69.444
Base-Backbone interact. energy: -1.065
local terms energy: -110.914442
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -1.221
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -162.538032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.538032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.538032 (E_RNA)
where:
Base-Base interactions energy: -47.423
where: short stacking energy: -47.423
Base-Backbone interact. energy: 1.001
local terms energy: -116.115938
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: 0.097
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: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -676.996308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.996308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.996308 (E_RNA)
where:
Base-Base interactions energy: -452.447
where: short stacking energy: -197.519
Base-Backbone interact. energy: 0.067
local terms energy: -224.616259
where:
bonds (distance) C4'-P energy: -39.796
bonds (distance) P-C4' energy: -47.271
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -64.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -648.800549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.800549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.800549 (E_RNA)
where:
Base-Base interactions energy: -450.110
where: short stacking energy: -177.224
Base-Backbone interact. energy: -0.471
local terms energy: -198.220346
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -32.659
flat angles C4'-P-C4' energy: -43.335
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -56.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -626.953784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.953784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.953784 (E_RNA)
where:
Base-Base interactions energy: -426.485
where: short stacking energy: -194.243
Base-Backbone interact. energy: -0.090
local terms energy: -200.378334
where:
bonds (distance) C4'-P energy: -32.374
bonds (distance) P-C4' energy: -37.053
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -31.202
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -634.273923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.273923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.273923 (E_RNA)
where:
Base-Base interactions energy: -443.262
where: short stacking energy: -189.226
Base-Backbone interact. energy: -2.516
local terms energy: -188.496288
where:
bonds (distance) C4'-P energy: -36.667
bonds (distance) P-C4' energy: -29.850
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -60.136
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: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -585.191792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.191792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.191792 (E_RNA)
where:
Base-Base interactions energy: -395.291
where: short stacking energy: -184.283
Base-Backbone interact. energy: -0.165
local terms energy: -189.736207
where:
bonds (distance) C4'-P energy: -39.135
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -43.452
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -54.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -557.788751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.788751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.788751 (E_RNA)
where:
Base-Base interactions energy: -363.590
where: short stacking energy: -154.780
Base-Backbone interact. energy: -0.164
local terms energy: -194.034901
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -40.907
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -57.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -378.731649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.731649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.731649 (E_RNA)
where:
Base-Base interactions energy: -219.588
where: short stacking energy: -106.943
Base-Backbone interact. energy: 0.635
local terms energy: -159.778225
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -26.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -366.784936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.784936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.784936 (E_RNA)
where:
Base-Base interactions energy: -218.346
where: short stacking energy: -116.931
Base-Backbone interact. energy: 2.663
local terms energy: -151.101778
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -31.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -182.191631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.191631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.191631 (E_RNA)
where:
Base-Base interactions energy: -62.981
where: short stacking energy: -57.373
Base-Backbone interact. energy: -0.866
local terms energy: -118.344849
where:
bonds (distance) C4'-P energy: -35.894
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: 7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -165.665471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.665471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.665471 (E_RNA)
where:
Base-Base interactions energy: -65.685
where: short stacking energy: -60.241
Base-Backbone interact. energy: 1.071
local terms energy: -101.051482
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -679.762813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.762813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.762813 (E_RNA)
where:
Base-Base interactions energy: -458.251
where: short stacking energy: -203.438
Base-Backbone interact. energy: -1.971
local terms energy: -219.541344
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -37.219
flat angles C4'-P-C4' energy: -44.343
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -66.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -647.206388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.206388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.206388 (E_RNA)
where:
Base-Base interactions energy: -424.887
where: short stacking energy: -192.364
Base-Backbone interact. energy: -0.091
local terms energy: -222.228601
where:
bonds (distance) C4'-P energy: -48.730
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -59.640
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: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -630.907724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.907724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.907724 (E_RNA)
where:
Base-Base interactions energy: -422.477
where: short stacking energy: -165.292
Base-Backbone interact. energy: -0.704
local terms energy: -207.727112
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -42.070
flat angles C4'-P-C4' energy: -42.269
flat angles P-C4'-P energy: -29.162
tors. eta vs tors. theta energy: -51.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -638.368198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.368198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.368198 (E_RNA)
where:
Base-Base interactions energy: -439.159
where: short stacking energy: -178.610
Base-Backbone interact. energy: -0.531
local terms energy: -198.678244
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -53.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -566.578400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.578400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.578400 (E_RNA)
where:
Base-Base interactions energy: -374.638
where: short stacking energy: -166.955
Base-Backbone interact. energy: -1.225
local terms energy: -190.715527
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -37.407
flat angles P-C4'-P energy: -28.523
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: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -514.566209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.566209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.566209 (E_RNA)
where:
Base-Base interactions energy: -320.916
where: short stacking energy: -145.666
Base-Backbone interact. energy: -0.445
local terms energy: -193.204704
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -43.638
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -49.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -374.959844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.959844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.959844 (E_RNA)
where:
Base-Base interactions energy: -228.039
where: short stacking energy: -122.494
Base-Backbone interact. energy: -1.625
local terms energy: -145.295880
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -39.520
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -402.797525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.797525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.797525 (E_RNA)
where:
Base-Base interactions energy: -255.135
where: short stacking energy: -118.019
Base-Backbone interact. energy: -0.154
local terms energy: -147.507993
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -38.824
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -179.821242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.821242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.821242 (E_RNA)
where:
Base-Base interactions energy: -72.295
where: short stacking energy: -45.310
Base-Backbone interact. energy: -1.164
local terms energy: -106.362213
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -168.160589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.160589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.160589 (E_RNA)
where:
Base-Base interactions energy: -62.432
where: short stacking energy: -39.912
Base-Backbone interact. energy: 0.214
local terms energy: -105.942951
where:
bonds (distance) C4'-P energy: -40.440
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -1.101
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: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -681.870050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.870050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.870050 (E_RNA)
where:
Base-Base interactions energy: -451.676
where: short stacking energy: -205.040
Base-Backbone interact. energy: -1.754
local terms energy: -228.440436
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -47.906
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -66.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -651.090877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.090877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.090877 (E_RNA)
where:
Base-Base interactions energy: -434.822
where: short stacking energy: -205.192
Base-Backbone interact. energy: -0.447
local terms energy: -215.821725
where:
bonds (distance) C4'-P energy: -34.783
bonds (distance) P-C4' energy: -35.627
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -66.718
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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -650.609410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.609410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.609410 (E_RNA)
where:
Base-Base interactions energy: -443.408
where: short stacking energy: -177.999
Base-Backbone interact. energy: -1.160
local terms energy: -206.042073
where:
bonds (distance) C4'-P energy: -41.977
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -37.715
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -59.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -611.062060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.062060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.062060 (E_RNA)
where:
Base-Base interactions energy: -413.577
where: short stacking energy: -179.993
Base-Backbone interact. energy: -1.141
local terms energy: -196.344412
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -55.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -558.444013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.444013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.444013 (E_RNA)
where:
Base-Base interactions energy: -355.152
where: short stacking energy: -148.022
Base-Backbone interact. energy: -0.353
local terms energy: -202.938917
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -43.323
flat angles C4'-P-C4' energy: -46.737
flat angles P-C4'-P energy: -23.402
tors. eta vs tors. theta energy: -51.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -492.455313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.455313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.455313 (E_RNA)
where:
Base-Base interactions energy: -316.694
where: short stacking energy: -133.048
Base-Backbone interact. energy: -0.695
local terms energy: -175.066561
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -42.090
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -40.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -397.466984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.466984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.466984 (E_RNA)
where:
Base-Base interactions energy: -232.063
where: short stacking energy: -129.365
Base-Backbone interact. energy: -0.882
local terms energy: -164.521964
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -33.758
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: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -395.800436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.800436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.800436 (E_RNA)
where:
Base-Base interactions energy: -250.147
where: short stacking energy: -125.824
Base-Backbone interact. energy: 0.140
local terms energy: -145.793630
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -28.004
tors. eta vs tors. theta energy: -29.411
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: 440
Temperature: 1.300000
Total energy: -172.983287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.983287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.983287 (E_RNA)
where:
Base-Base interactions energy: -57.559
where: short stacking energy: -27.303
Base-Backbone interact. energy: -1.318
local terms energy: -114.105955
where:
bonds (distance) C4'-P energy: -44.547
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: 3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -216.074578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.074578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.074578 (E_RNA)
where:
Base-Base interactions energy: -102.099
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.111
local terms energy: -113.864435
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: 0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -680.653060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.653060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.653060 (E_RNA)
where:
Base-Base interactions energy: -460.999
where: short stacking energy: -210.874
Base-Backbone interact. energy: -0.627
local terms energy: -219.026562
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -70.848
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: 441
Temperature: 0.950000
Total energy: -651.784687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.784687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.784687 (E_RNA)
where:
Base-Base interactions energy: -436.925
where: short stacking energy: -209.944
Base-Backbone interact. energy: -0.008
local terms energy: -214.852198
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -43.487
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -62.300
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: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -627.663017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.663017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.663017 (E_RNA)
where:
Base-Base interactions energy: -444.529
where: short stacking energy: -180.905
Base-Backbone interact. energy: -0.123
local terms energy: -183.010514
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -61.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -589.217430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.217430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.217430 (E_RNA)
where:
Base-Base interactions energy: -388.386
where: short stacking energy: -175.536
Base-Backbone interact. energy: 0.332
local terms energy: -201.163998
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -43.488
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -52.222
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: 441
Temperature: 1.100000
Total energy: -554.813015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.813015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.813015 (E_RNA)
where:
Base-Base interactions energy: -353.887
where: short stacking energy: -151.080
Base-Backbone interact. energy: -0.519
local terms energy: -200.407320
where:
bonds (distance) C4'-P energy: -30.600
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -53.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -515.014445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.014445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.014445 (E_RNA)
where:
Base-Base interactions energy: -329.533
where: short stacking energy: -148.970
Base-Backbone interact. energy: 0.485
local terms energy: -185.966917
where:
bonds (distance) C4'-P energy: -38.652
bonds (distance) P-C4' energy: -38.851
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -27.224
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -375.660525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.660525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.660525 (E_RNA)
where:
Base-Base interactions energy: -222.172
where: short stacking energy: -108.269
Base-Backbone interact. energy: -1.695
local terms energy: -151.794098
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -40.049
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -30.886
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -363.991626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.991626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.991626 (E_RNA)
where:
Base-Base interactions energy: -209.597
where: short stacking energy: -90.715
Base-Backbone interact. energy: -0.795
local terms energy: -153.598855
where:
bonds (distance) C4'-P energy: -33.986
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -205.616201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.616201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.616201 (E_RNA)
where:
Base-Base interactions energy: -73.512
where: short stacking energy: -67.068
Base-Backbone interact. energy: -1.222
local terms energy: -130.882274
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -40.554
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -2.015
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: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -217.640054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.640054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.640054 (E_RNA)
where:
Base-Base interactions energy: -92.829
where: short stacking energy: -70.358
Base-Backbone interact. energy: 1.568
local terms energy: -126.379327
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -658.510161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.510161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.510161 (E_RNA)
where:
Base-Base interactions energy: -433.107
where: short stacking energy: -199.663
Base-Backbone interact. energy: 0.450
local terms energy: -225.853841
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -66.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -647.750403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.750403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.750403 (E_RNA)
where:
Base-Base interactions energy: -431.089
where: short stacking energy: -199.043
Base-Backbone interact. energy: -0.333
local terms energy: -216.328445
where:
bonds (distance) C4'-P energy: -40.420
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -40.500
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -61.843
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: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -614.306006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.306006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.306006 (E_RNA)
where:
Base-Base interactions energy: -416.067
where: short stacking energy: -174.461
Base-Backbone interact. energy: -0.562
local terms energy: -197.676639
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -30.007
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: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -596.750536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.750536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.750536 (E_RNA)
where:
Base-Base interactions energy: -402.493
where: short stacking energy: -179.633
Base-Backbone interact. energy: -0.103
local terms energy: -194.154899
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -43.790
flat angles C4'-P-C4' energy: -41.154
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -53.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -577.754200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.754200 (E_RNA)
where:
Base-Base interactions energy: -372.417
where: short stacking energy: -164.260
Base-Backbone interact. energy: -0.540
local terms energy: -204.797350
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -45.143
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -47.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -513.000597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.000597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.000597 (E_RNA)
where:
Base-Base interactions energy: -329.816
where: short stacking energy: -146.099
Base-Backbone interact. energy: 0.054
local terms energy: -183.238356
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -38.876
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -46.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -331.437848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.437848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.437848 (E_RNA)
where:
Base-Base interactions energy: -178.243
where: short stacking energy: -92.314
Base-Backbone interact. energy: -0.555
local terms energy: -152.639095
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -378.356486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.356486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.356486 (E_RNA)
where:
Base-Base interactions energy: -222.557
where: short stacking energy: -115.796
Base-Backbone interact. energy: -0.295
local terms energy: -155.504918
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -35.623
flat angles P-C4'-P energy: -24.359
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -223.287652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.287652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.287652 (E_RNA)
where:
Base-Base interactions energy: -124.957
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.828
local terms energy: -97.502324
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -37.627
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: 6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -169.401176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.401176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.401176 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -40.745
Base-Backbone interact. energy: 1.436
local terms energy: -129.767046
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -41.258
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -668.028711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.028711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.028711 (E_RNA)
where:
Base-Base interactions energy: -448.187
where: short stacking energy: -199.735
Base-Backbone interact. energy: -0.079
local terms energy: -219.762954
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -50.923
flat angles P-C4'-P energy: -31.781
tors. eta vs tors. theta energy: -62.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -649.990147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.990147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.990147 (E_RNA)
where:
Base-Base interactions energy: -427.460
where: short stacking energy: -194.971
Base-Backbone interact. energy: -0.307
local terms energy: -222.223185
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -44.837
flat angles P-C4'-P energy: -31.129
tors. eta vs tors. theta energy: -67.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -612.026238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.026238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.026238 (E_RNA)
where:
Base-Base interactions energy: -417.381
where: short stacking energy: -169.956
Base-Backbone interact. energy: 0.065
local terms energy: -194.711027
where:
bonds (distance) C4'-P energy: -34.338
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -53.731
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: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -583.018629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.018629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.018629 (E_RNA)
where:
Base-Base interactions energy: -385.426
where: short stacking energy: -180.740
Base-Backbone interact. energy: 1.805
local terms energy: -199.397789
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -40.951
flat angles C4'-P-C4' energy: -44.791
flat angles P-C4'-P energy: -30.228
tors. eta vs tors. theta energy: -52.691
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: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -579.307086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.307086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.307086 (E_RNA)
where:
Base-Base interactions energy: -382.563
where: short stacking energy: -167.654
Base-Backbone interact. energy: -0.747
local terms energy: -195.997126
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -33.786
tors. eta vs tors. theta energy: -52.214
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: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -523.420761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.420761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.420761 (E_RNA)
where:
Base-Base interactions energy: -334.736
where: short stacking energy: -144.173
Base-Backbone interact. energy: -3.204
local terms energy: -185.480699
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -44.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -351.387705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.387705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.387705 (E_RNA)
where:
Base-Base interactions energy: -196.221
where: short stacking energy: -114.079
Base-Backbone interact. energy: -1.201
local terms energy: -153.966031
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -31.640
flat angles P-C4'-P energy: -23.445
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: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -361.991304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.991304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.991304 (E_RNA)
where:
Base-Base interactions energy: -211.451
where: short stacking energy: -91.882
Base-Backbone interact. energy: 1.405
local terms energy: -151.945294
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -218.490661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.490661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.490661 (E_RNA)
where:
Base-Base interactions energy: -115.276
where: short stacking energy: -62.845
Base-Backbone interact. energy: 1.680
local terms energy: -104.895003
where:
bonds (distance) C4'-P energy: -39.422
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -164.505643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.505643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.505643 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.809
local terms energy: -118.768949
where:
bonds (distance) C4'-P energy: -40.209
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: 4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -678.924230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.924230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.924230 (E_RNA)
where:
Base-Base interactions energy: -448.205
where: short stacking energy: -206.391
Base-Backbone interact. energy: -1.028
local terms energy: -229.691702
where:
bonds (distance) C4'-P energy: -39.336
bonds (distance) P-C4' energy: -46.437
flat angles C4'-P-C4' energy: -47.025
flat angles P-C4'-P energy: -33.275
tors. eta vs tors. theta energy: -63.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -652.230848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.230848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.230848 (E_RNA)
where:
Base-Base interactions energy: -430.929
where: short stacking energy: -194.615
Base-Backbone interact. energy: -0.335
local terms energy: -220.967403
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -40.225
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -64.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -611.272145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.272145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.272145 (E_RNA)
where:
Base-Base interactions energy: -401.792
where: short stacking energy: -184.103
Base-Backbone interact. energy: -0.862
local terms energy: -208.617957
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -29.311
tors. eta vs tors. theta energy: -55.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -597.567798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.567798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.567798 (E_RNA)
where:
Base-Base interactions energy: -408.562
where: short stacking energy: -157.765
Base-Backbone interact. energy: -0.239
local terms energy: -188.766388
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -39.537
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: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -580.059805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.059805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.059805 (E_RNA)
where:
Base-Base interactions energy: -383.032
where: short stacking energy: -177.920
Base-Backbone interact. energy: -0.575
local terms energy: -196.452458
where:
bonds (distance) C4'-P energy: -34.136
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -59.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -519.608468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.608468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.608468 (E_RNA)
where:
Base-Base interactions energy: -335.290
where: short stacking energy: -146.466
Base-Backbone interact. energy: -0.782
local terms energy: -183.536153
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -43.036
flat angles C4'-P-C4' energy: -36.852
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -40.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -390.589750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.589750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.589750 (E_RNA)
where:
Base-Base interactions energy: -235.666
where: short stacking energy: -121.426
Base-Backbone interact. energy: -0.405
local terms energy: -154.518649
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -41.348
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -28.680
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: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -354.507127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.507127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.507127 (E_RNA)
where:
Base-Base interactions energy: -203.318
where: short stacking energy: -93.575
Base-Backbone interact. energy: -0.120
local terms energy: -151.069351
where:
bonds (distance) C4'-P energy: -38.233
bonds (distance) P-C4' energy: -36.714
flat angles C4'-P-C4' energy: -42.161
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -224.437982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.437982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.437982 (E_RNA)
where:
Base-Base interactions energy: -99.725
where: short stacking energy: -58.069
Base-Backbone interact. energy: 0.819
local terms energy: -125.532047
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -175.753075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.753075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.753075 (E_RNA)
where:
Base-Base interactions energy: -66.987
where: short stacking energy: -48.630
Base-Backbone interact. energy: 0.464
local terms energy: -109.230111
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -35.887
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: 3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -677.362577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.362577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.362577 (E_RNA)
where:
Base-Base interactions energy: -457.649
where: short stacking energy: -198.873
Base-Backbone interact. energy: -0.469
local terms energy: -219.244304
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -59.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -651.535661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.535661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.535661 (E_RNA)
where:
Base-Base interactions energy: -426.919
where: short stacking energy: -199.787
Base-Backbone interact. energy: 0.197
local terms energy: -224.812788
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -49.448
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -599.348162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.348162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.348162 (E_RNA)
where:
Base-Base interactions energy: -398.373
where: short stacking energy: -172.155
Base-Backbone interact. energy: -0.187
local terms energy: -200.788177
where:
bonds (distance) C4'-P energy: -42.166
bonds (distance) P-C4' energy: -39.492
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -49.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -566.663745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.663745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.663745 (E_RNA)
where:
Base-Base interactions energy: -362.858
where: short stacking energy: -169.955
Base-Backbone interact. energy: -0.936
local terms energy: -202.870237
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -43.878
flat angles C4'-P-C4' energy: -43.439
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -51.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -574.121937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.121937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.121937 (E_RNA)
where:
Base-Base interactions energy: -390.237
where: short stacking energy: -161.158
Base-Backbone interact. energy: -1.393
local terms energy: -182.492107
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -36.031
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -50.097
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: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -509.749500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.749500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.749500 (E_RNA)
where:
Base-Base interactions energy: -323.702
where: short stacking energy: -139.352
Base-Backbone interact. energy: -2.290
local terms energy: -183.757272
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -382.773680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.773680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.773680 (E_RNA)
where:
Base-Base interactions energy: -244.229
where: short stacking energy: -101.840
Base-Backbone interact. energy: -0.637
local terms energy: -137.907821
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -43.387
flat angles P-C4'-P energy: -11.828
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: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -382.289659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.289659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.289659 (E_RNA)
where:
Base-Base interactions energy: -217.926
where: short stacking energy: -108.932
Base-Backbone interact. energy: -0.829
local terms energy: -163.534267
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -42.456
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -25.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -186.565598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.565598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.565598 (E_RNA)
where:
Base-Base interactions energy: -92.533
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.798
local terms energy: -93.234212
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: 5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -169.429189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.429189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.429189 (E_RNA)
where:
Base-Base interactions energy: -68.839
where: short stacking energy: -62.288
Base-Backbone interact. energy: -1.918
local terms energy: -98.672406
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -669.664761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.664761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.664761 (E_RNA)
where:
Base-Base interactions energy: -446.148
where: short stacking energy: -201.568
Base-Backbone interact. energy: -1.597
local terms energy: -221.918900
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -43.117
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -60.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -634.989810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.989810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.989810 (E_RNA)
where:
Base-Base interactions energy: -422.900
where: short stacking energy: -189.835
Base-Backbone interact. energy: 1.543
local terms energy: -213.632605
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -32.727
tors. eta vs tors. theta energy: -59.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -605.983093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.983093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.983093 (E_RNA)
where:
Base-Base interactions energy: -409.321
where: short stacking energy: -189.773
Base-Backbone interact. energy: 0.511
local terms energy: -197.173204
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -59.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -618.621332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.621332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.621332 (E_RNA)
where:
Base-Base interactions energy: -422.854
where: short stacking energy: -185.064
Base-Backbone interact. energy: -0.256
local terms energy: -195.511312
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -42.506
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -54.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -511.671227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.671227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.671227 (E_RNA)
where:
Base-Base interactions energy: -340.338
where: short stacking energy: -142.262
Base-Backbone interact. energy: -0.387
local terms energy: -170.946992
where:
bonds (distance) C4'-P energy: -38.004
bonds (distance) P-C4' energy: -37.903
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -39.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -535.067278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.067278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.067278 (E_RNA)
where:
Base-Base interactions energy: -362.485
where: short stacking energy: -139.822
Base-Backbone interact. energy: 1.070
local terms energy: -173.651768
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -420.286548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.286548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.286548 (E_RNA)
where:
Base-Base interactions energy: -267.667
where: short stacking energy: -116.546
Base-Backbone interact. energy: -0.240
local terms energy: -152.379175
where:
bonds (distance) C4'-P energy: -35.143
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -354.950848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.950848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.950848 (E_RNA)
where:
Base-Base interactions energy: -203.300
where: short stacking energy: -80.452
Base-Backbone interact. energy: -0.906
local terms energy: -150.744803
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -47.187
flat angles C4'-P-C4' energy: -33.547
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -192.463466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.463466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.463466 (E_RNA)
where:
Base-Base interactions energy: -91.673
where: short stacking energy: -52.836
Base-Backbone interact. energy: -0.773
local terms energy: -100.017769
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -19.766
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: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -178.439072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.439072 (E_RNA)
where:
Base-Base interactions energy: -70.457
where: short stacking energy: -53.077
Base-Backbone interact. energy: -1.244
local terms energy: -106.738919
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -12.357
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: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -688.726255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.726255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.726255 (E_RNA)
where:
Base-Base interactions energy: -459.017
where: short stacking energy: -207.470
Base-Backbone interact. energy: -0.403
local terms energy: -229.306742
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -42.486
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -72.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -637.269470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.269470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.269470 (E_RNA)
where:
Base-Base interactions energy: -425.805
where: short stacking energy: -188.461
Base-Backbone interact. energy: -0.104
local terms energy: -211.360369
where:
bonds (distance) C4'-P energy: -42.532
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -43.686
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -58.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -611.187192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.187192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.187192 (E_RNA)
where:
Base-Base interactions energy: -409.324
where: short stacking energy: -186.123
Base-Backbone interact. energy: -0.789
local terms energy: -201.074121
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -41.213
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -54.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -594.818527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.818527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.818527 (E_RNA)
where:
Base-Base interactions energy: -408.926
where: short stacking energy: -189.491
Base-Backbone interact. energy: -0.600
local terms energy: -185.292438
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -40.140
flat angles P-C4'-P energy: -30.905
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: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -494.359561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.359561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.359561 (E_RNA)
where:
Base-Base interactions energy: -322.874
where: short stacking energy: -134.607
Base-Backbone interact. energy: -1.954
local terms energy: -169.530828
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -39.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -528.819665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.819665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.819665 (E_RNA)
where:
Base-Base interactions energy: -351.666
where: short stacking energy: -162.948
Base-Backbone interact. energy: -1.247
local terms energy: -175.906143
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: -47.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -419.181141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.181141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.181141 (E_RNA)
where:
Base-Base interactions energy: -259.709
where: short stacking energy: -129.875
Base-Backbone interact. energy: -0.713
local terms energy: -158.758941
where:
bonds (distance) C4'-P energy: -38.818
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -37.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -323.062337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.062337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.062337 (E_RNA)
where:
Base-Base interactions energy: -184.496
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.939
local terms energy: -137.626991
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -35.781
flat angles C4'-P-C4' energy: -34.900
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -15.112
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: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -175.781124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.781124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.781124 (E_RNA)
where:
Base-Base interactions energy: -65.555
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.903
local terms energy: -109.323237
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: 7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -186.917618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.917618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.917618 (E_RNA)
where:
Base-Base interactions energy: -67.340
where: short stacking energy: -43.637
Base-Backbone interact. energy: -0.543
local terms energy: -119.034755
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: 2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -681.297950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.297950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.297950 (E_RNA)
where:
Base-Base interactions energy: -454.140
where: short stacking energy: -215.674
Base-Backbone interact. energy: 0.427
local terms energy: -227.585112
where:
bonds (distance) C4'-P energy: -39.198
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -32.729
tors. eta vs tors. theta energy: -68.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -641.912845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.912845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.912845 (E_RNA)
where:
Base-Base interactions energy: -425.022
where: short stacking energy: -198.365
Base-Backbone interact. energy: -0.907
local terms energy: -215.984013
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -42.267
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -68.154
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: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -608.120949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.120949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.120949 (E_RNA)
where:
Base-Base interactions energy: -404.478
where: short stacking energy: -183.947
Base-Backbone interact. energy: -1.659
local terms energy: -201.983509
where:
bonds (distance) C4'-P energy: -33.196
bonds (distance) P-C4' energy: -36.810
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -56.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -594.746195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.746195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.746195 (E_RNA)
where:
Base-Base interactions energy: -393.198
where: short stacking energy: -181.024
Base-Backbone interact. energy: -0.548
local terms energy: -201.000450
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -28.189
tors. eta vs tors. theta energy: -50.817
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: 448
Temperature: 1.100000
Total energy: -542.459179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.459179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.459179 (E_RNA)
where:
Base-Base interactions energy: -381.798
where: short stacking energy: -157.605
Base-Backbone interact. energy: 1.318
local terms energy: -161.979252
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -42.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -512.556720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.556720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.556720 (E_RNA)
where:
Base-Base interactions energy: -333.576
where: short stacking energy: -144.412
Base-Backbone interact. energy: -0.507
local terms energy: -178.474085
where:
bonds (distance) C4'-P energy: -32.743
bonds (distance) P-C4' energy: -42.015
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -25.939
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: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -416.081083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.081083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.081083 (E_RNA)
where:
Base-Base interactions energy: -265.180
where: short stacking energy: -122.289
Base-Backbone interact. energy: 0.188
local terms energy: -151.089430
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -44.959
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -25.477
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: 448
Temperature: 1.250000
Total energy: -353.482519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.482519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.482519 (E_RNA)
where:
Base-Base interactions energy: -207.418
where: short stacking energy: -97.337
Base-Backbone interact. energy: -0.757
local terms energy: -145.307885
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -24.182
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: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -212.822864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.822864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.822864 (E_RNA)
where:
Base-Base interactions energy: -98.236
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.379
local terms energy: -114.207918
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -39.317
flat angles C4'-P-C4' energy: -36.431
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: 3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -187.924142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.924142 (E_RNA)
where:
Base-Base interactions energy: -79.813
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.024
local terms energy: -108.087366
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -29.322
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: 4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -672.660401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.660401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.660401 (E_RNA)
where:
Base-Base interactions energy: -438.759
where: short stacking energy: -200.897
Base-Backbone interact. energy: -0.589
local terms energy: -233.313252
where:
bonds (distance) C4'-P energy: -44.280
bonds (distance) P-C4' energy: -46.803
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -65.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -658.799687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.799687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.799687 (E_RNA)
where:
Base-Base interactions energy: -437.125
where: short stacking energy: -204.829
Base-Backbone interact. energy: -0.553
local terms energy: -221.121733
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -42.488
flat angles C4'-P-C4' energy: -47.096
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -67.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -601.022367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.022367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.022367 (E_RNA)
where:
Base-Base interactions energy: -394.998
where: short stacking energy: -175.959
Base-Backbone interact. energy: -0.265
local terms energy: -205.759346
where:
bonds (distance) C4'-P energy: -38.125
bonds (distance) P-C4' energy: -41.737
flat angles C4'-P-C4' energy: -45.433
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -50.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -606.682271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.682271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.682271 (E_RNA)
where:
Base-Base interactions energy: -414.153
where: short stacking energy: -178.134
Base-Backbone interact. energy: -0.269
local terms energy: -192.259594
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -28.844
tors. eta vs tors. theta energy: -56.095
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: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -561.366445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.366445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.366445 (E_RNA)
where:
Base-Base interactions energy: -387.183
where: short stacking energy: -162.640
Base-Backbone interact. energy: 0.701
local terms energy: -174.884238
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -43.730
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: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -456.219619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.219619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.219619 (E_RNA)
where:
Base-Base interactions energy: -275.117
where: short stacking energy: -130.140
Base-Backbone interact. energy: -0.273
local terms energy: -180.828755
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -45.099
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: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -480.646441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.646441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.646441 (E_RNA)
where:
Base-Base interactions energy: -319.729
where: short stacking energy: -136.061
Base-Backbone interact. energy: 0.489
local terms energy: -161.406083
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -36.980
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: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -359.717614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.717614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.717614 (E_RNA)
where:
Base-Base interactions energy: -214.482
where: short stacking energy: -94.059
Base-Backbone interact. energy: -0.438
local terms energy: -144.797164
where:
bonds (distance) C4'-P energy: -34.205
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -16.964
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: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -186.636222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.636222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.636222 (E_RNA)
where:
Base-Base interactions energy: -54.344
where: short stacking energy: -40.143
Base-Backbone interact. energy: -0.934
local terms energy: -131.357848
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -168.451237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.451237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.451237 (E_RNA)
where:
Base-Base interactions energy: -44.773
where: short stacking energy: -44.179
Base-Backbone interact. energy: -1.041
local terms energy: -122.637023
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -38.029
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -16.298
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: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -652.725021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.725021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.725021 (E_RNA)
where:
Base-Base interactions energy: -438.571
where: short stacking energy: -199.913
Base-Backbone interact. energy: -0.020
local terms energy: -214.133416
where:
bonds (distance) C4'-P energy: -39.928
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -31.584
tors. eta vs tors. theta energy: -64.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -660.382914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.382914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.382914 (E_RNA)
where:
Base-Base interactions energy: -439.821
where: short stacking energy: -209.673
Base-Backbone interact. energy: -0.301
local terms energy: -220.261375
where:
bonds (distance) C4'-P energy: -38.491
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -48.467
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -63.028
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: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -608.914565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.914565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.914565 (E_RNA)
where:
Base-Base interactions energy: -407.555
where: short stacking energy: -174.084
Base-Backbone interact. energy: -0.746
local terms energy: -200.613810
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -36.978
flat angles C4'-P-C4' energy: -40.880
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -55.007
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: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -576.300656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.300656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.300656 (E_RNA)
where:
Base-Base interactions energy: -376.479
where: short stacking energy: -171.655
Base-Backbone interact. energy: -0.366
local terms energy: -199.455909
where:
bonds (distance) C4'-P energy: -35.960
bonds (distance) P-C4' energy: -42.980
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -49.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -557.874892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.874892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.874892 (E_RNA)
where:
Base-Base interactions energy: -373.274
where: short stacking energy: -160.756
Base-Backbone interact. energy: -0.118
local terms energy: -184.483459
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -38.090
flat angles P-C4'-P energy: -29.440
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: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -411.755264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.755264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.755264 (E_RNA)
where:
Base-Base interactions energy: -254.229
where: short stacking energy: -131.583
Base-Backbone interact. energy: -0.095
local terms energy: -157.430924
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -24.277
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: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -483.033101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.033101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.033101 (E_RNA)
where:
Base-Base interactions energy: -332.578
where: short stacking energy: -139.891
Base-Backbone interact. energy: -0.299
local terms energy: -150.155518
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -26.476
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: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -328.637395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.637395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.637395 (E_RNA)
where:
Base-Base interactions energy: -194.585
where: short stacking energy: -101.941
Base-Backbone interact. energy: -1.879
local terms energy: -132.173457
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -37.037
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -189.217492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.217492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.217492 (E_RNA)
where:
Base-Base interactions energy: -64.518
where: short stacking energy: -52.493
Base-Backbone interact. energy: 2.671
local terms energy: -127.370002
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -43.653
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -1.334
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: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -182.594486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.594486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.594486 (E_RNA)
where:
Base-Base interactions energy: -71.220
where: short stacking energy: -40.217
Base-Backbone interact. energy: 0.742
local terms energy: -112.116504
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: 6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -637.864785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.864785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.864785 (E_RNA)
where:
Base-Base interactions energy: -425.479
where: short stacking energy: -179.491
Base-Backbone interact. energy: -0.102
local terms energy: -212.283850
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -43.303
flat angles C4'-P-C4' energy: -43.643
flat angles P-C4'-P energy: -25.644
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: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -645.485223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.485223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.485223 (E_RNA)
where:
Base-Base interactions energy: -435.400
where: short stacking energy: -196.362
Base-Backbone interact. energy: -0.624
local terms energy: -209.461638
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -41.610
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -60.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -651.842805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.842805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.842805 (E_RNA)
where:
Base-Base interactions energy: -429.118
where: short stacking energy: -200.160
Base-Backbone interact. energy: -0.190
local terms energy: -222.535342
where:
bonds (distance) C4'-P energy: -39.212
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -45.749
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -57.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -569.769653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.769653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.769653 (E_RNA)
where:
Base-Base interactions energy: -371.322
where: short stacking energy: -161.057
Base-Backbone interact. energy: 0.659
local terms energy: -199.106269
where:
bonds (distance) C4'-P energy: -41.395
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: -51.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -574.708434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.708434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.708434 (E_RNA)
where:
Base-Base interactions energy: -378.440
where: short stacking energy: -160.711
Base-Backbone interact. energy: -0.030
local terms energy: -196.238617
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -40.824
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -52.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -499.157759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.157759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.157759 (E_RNA)
where:
Base-Base interactions energy: -329.292
where: short stacking energy: -135.599
Base-Backbone interact. energy: -0.427
local terms energy: -169.438613
where:
bonds (distance) C4'-P energy: -32.640
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -36.511
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: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -375.126504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.126504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.126504 (E_RNA)
where:
Base-Base interactions energy: -222.866
where: short stacking energy: -106.722
Base-Backbone interact. energy: -0.831
local terms energy: -151.428625
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -27.523
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: 451
Temperature: 1.250000
Total energy: -334.829190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.829190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.829190 (E_RNA)
where:
Base-Base interactions energy: -205.870
where: short stacking energy: -82.798
Base-Backbone interact. energy: 1.056
local terms energy: -130.014538
where:
bonds (distance) C4'-P energy: -35.796
bonds (distance) P-C4' energy: -44.260
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -17.903
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -178.472931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.472931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.472931 (E_RNA)
where:
Base-Base interactions energy: -54.797
where: short stacking energy: -48.444
Base-Backbone interact. energy: -1.483
local terms energy: -122.192465
where:
bonds (distance) C4'-P energy: -34.121
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: 2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -173.049781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.049781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.049781 (E_RNA)
where:
Base-Base interactions energy: -53.517
where: short stacking energy: -47.359
Base-Backbone interact. energy: -0.266
local terms energy: -119.266955
where:
bonds (distance) C4'-P energy: -35.837
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -650.132216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.132216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.132216 (E_RNA)
where:
Base-Base interactions energy: -445.863
where: short stacking energy: -185.726
Base-Backbone interact. energy: -0.926
local terms energy: -203.342624
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -46.285
flat angles P-C4'-P energy: -29.068
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -619.368778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.368778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.368778 (E_RNA)
where:
Base-Base interactions energy: -434.241
where: short stacking energy: -196.942
Base-Backbone interact. energy: -0.867
local terms energy: -184.260669
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -53.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -661.087501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.087501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.087501 (E_RNA)
where:
Base-Base interactions energy: -439.309
where: short stacking energy: -202.869
Base-Backbone interact. energy: -1.394
local terms energy: -220.384478
where:
bonds (distance) C4'-P energy: -38.201
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -64.359
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: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -578.317939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.317939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.317939 (E_RNA)
where:
Base-Base interactions energy: -379.867
where: short stacking energy: -164.373
Base-Backbone interact. energy: 0.766
local terms energy: -199.216983
where:
bonds (distance) C4'-P energy: -36.321
bonds (distance) P-C4' energy: -37.931
flat angles C4'-P-C4' energy: -39.181
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -52.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -566.784819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.784819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.784819 (E_RNA)
where:
Base-Base interactions energy: -373.792
where: short stacking energy: -167.357
Base-Backbone interact. energy: -0.346
local terms energy: -192.646974
where:
bonds (distance) C4'-P energy: -36.627
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -38.777
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -50.119
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: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -542.697662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.697662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.697662 (E_RNA)
where:
Base-Base interactions energy: -359.612
where: short stacking energy: -160.750
Base-Backbone interact. energy: -0.200
local terms energy: -182.885740
where:
bonds (distance) C4'-P energy: -29.576
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -43.669
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -47.362
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: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -381.867380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.867380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.867380 (E_RNA)
where:
Base-Base interactions energy: -220.766
where: short stacking energy: -113.583
Base-Backbone interact. energy: -0.780
local terms energy: -160.321686
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -39.518
flat angles C4'-P-C4' energy: -33.387
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -32.092
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: 452
Temperature: 1.250000
Total energy: -355.098708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.098708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.098708 (E_RNA)
where:
Base-Base interactions energy: -210.377
where: short stacking energy: -94.867
Base-Backbone interact. energy: 1.134
local terms energy: -145.855310
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -45.037
flat angles P-C4'-P energy: -21.971
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: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -199.234224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.234224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.234224 (E_RNA)
where:
Base-Base interactions energy: -78.227
where: short stacking energy: -47.296
Base-Backbone interact. energy: -0.978
local terms energy: -120.028926
where:
bonds (distance) C4'-P energy: -35.974
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -20.926
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: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -184.267793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.267793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.267793 (E_RNA)
where:
Base-Base interactions energy: -64.294
where: short stacking energy: -49.091
Base-Backbone interact. energy: -0.522
local terms energy: -119.451798
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -29.834
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -639.118312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.118312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.118312 (E_RNA)
where:
Base-Base interactions energy: -422.254
where: short stacking energy: -179.303
Base-Backbone interact. energy: -0.824
local terms energy: -216.040431
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -41.743
flat angles P-C4'-P energy: -32.679
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: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -686.421177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.421177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.421177 (E_RNA)
where:
Base-Base interactions energy: -456.095
where: short stacking energy: -214.211
Base-Backbone interact. energy: -1.574
local terms energy: -228.752706
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -40.038
flat angles C4'-P-C4' energy: -45.890
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -68.869
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: 453
Temperature: 1.000000
Total energy: -616.292452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.292452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.292452 (E_RNA)
where:
Base-Base interactions energy: -415.502
where: short stacking energy: -185.946
Base-Backbone interact. energy: 1.505
local terms energy: -202.295376
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -41.921
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -55.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -578.617798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.617798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.617798 (E_RNA)
where:
Base-Base interactions energy: -378.835
where: short stacking energy: -189.313
Base-Backbone interact. energy: -0.219
local terms energy: -199.564064
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -56.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -551.510821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.510821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.510821 (E_RNA)
where:
Base-Base interactions energy: -375.348
where: short stacking energy: -149.260
Base-Backbone interact. energy: -0.344
local terms energy: -175.818984
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -46.879
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: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -518.991290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.991290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.991290 (E_RNA)
where:
Base-Base interactions energy: -346.855
where: short stacking energy: -151.804
Base-Backbone interact. energy: -0.737
local terms energy: -171.398882
where:
bonds (distance) C4'-P energy: -32.348
bonds (distance) P-C4' energy: -39.924
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -43.420
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: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -398.046803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.046803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.046803 (E_RNA)
where:
Base-Base interactions energy: -230.925
where: short stacking energy: -122.258
Base-Backbone interact. energy: -0.927
local terms energy: -166.194741
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -299.574703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.574703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.574703 (E_RNA)
where:
Base-Base interactions energy: -172.253
where: short stacking energy: -81.683
Base-Backbone interact. energy: 0.917
local terms energy: -128.238295
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -22.421
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -179.984852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.984852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.984852 (E_RNA)
where:
Base-Base interactions energy: -82.271
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.272
local terms energy: -97.441790
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: 6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -170.690780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.690780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.690780 (E_RNA)
where:
Base-Base interactions energy: -60.957
where: short stacking energy: -60.055
Base-Backbone interact. energy: -1.219
local terms energy: -108.515342
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -672.015536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.015536 (E_RNA)
where:
Base-Base interactions energy: -447.961
where: short stacking energy: -200.571
Base-Backbone interact. energy: -0.565
local terms energy: -223.489835
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -40.036
flat angles C4'-P-C4' energy: -48.935
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: -64.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -637.615600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.615600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.615600 (E_RNA)
where:
Base-Base interactions energy: -428.315
where: short stacking energy: -192.096
Base-Backbone interact. energy: 0.408
local terms energy: -209.709095
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -42.142
flat angles P-C4'-P energy: -35.217
tors. eta vs tors. theta energy: -57.860
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: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -599.736371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.736371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.736371 (E_RNA)
where:
Base-Base interactions energy: -399.908
where: short stacking energy: -167.486
Base-Backbone interact. energy: -0.702
local terms energy: -199.125746
where:
bonds (distance) C4'-P energy: -42.482
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -41.145
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: -58.338
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: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -560.202857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.202857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.202857 (E_RNA)
where:
Base-Base interactions energy: -368.307
where: short stacking energy: -166.980
Base-Backbone interact. energy: -1.317
local terms energy: -190.578151
where:
bonds (distance) C4'-P energy: -38.447
bonds (distance) P-C4' energy: -40.247
flat angles C4'-P-C4' energy: -40.461
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -46.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -561.071086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.071086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.071086 (E_RNA)
where:
Base-Base interactions energy: -378.006
where: short stacking energy: -160.177
Base-Backbone interact. energy: -0.719
local terms energy: -182.346034
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -34.213
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -51.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -500.392817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.392817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.392817 (E_RNA)
where:
Base-Base interactions energy: -318.733
where: short stacking energy: -140.140
Base-Backbone interact. energy: -0.740
local terms energy: -180.920146
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -40.999
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -42.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -413.350171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.350171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.350171 (E_RNA)
where:
Base-Base interactions energy: -266.211
where: short stacking energy: -128.287
Base-Backbone interact. energy: -0.231
local terms energy: -146.908286
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -31.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -320.620053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.620053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.620053 (E_RNA)
where:
Base-Base interactions energy: -176.390
where: short stacking energy: -94.105
Base-Backbone interact. energy: 1.831
local terms energy: -146.061008
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -33.576
flat angles C4'-P-C4' energy: -33.346
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -201.003404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.003404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.003404 (E_RNA)
where:
Base-Base interactions energy: -72.528
where: short stacking energy: -62.540
Base-Backbone interact. energy: 1.297
local terms energy: -129.772726
where:
bonds (distance) C4'-P energy: -42.626
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -170.006279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.006279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.006279 (E_RNA)
where:
Base-Base interactions energy: -42.822
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.645
local terms energy: -126.539493
where:
bonds (distance) C4'-P energy: -43.167
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: 3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -669.361307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.361307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.361307 (E_RNA)
where:
Base-Base interactions energy: -451.715
where: short stacking energy: -203.208
Base-Backbone interact. energy: 0.508
local terms energy: -218.154335
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -43.109
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -68.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -634.678347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.678347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.678347 (E_RNA)
where:
Base-Base interactions energy: -416.845
where: short stacking energy: -196.980
Base-Backbone interact. energy: -0.335
local terms energy: -217.498946
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: -65.707
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: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -638.848312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.848312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.848312 (E_RNA)
where:
Base-Base interactions energy: -423.876
where: short stacking energy: -181.639
Base-Backbone interact. energy: -1.000
local terms energy: -213.972976
where:
bonds (distance) C4'-P energy: -36.360
bonds (distance) P-C4' energy: -41.656
flat angles C4'-P-C4' energy: -44.336
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -60.277
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -559.733132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.733132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.733132 (E_RNA)
where:
Base-Base interactions energy: -367.760
where: short stacking energy: -154.325
Base-Backbone interact. energy: -0.311
local terms energy: -191.662485
where:
bonds (distance) C4'-P energy: -38.319
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -42.130
flat angles P-C4'-P energy: -26.592
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: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -563.062966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.062966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.062966 (E_RNA)
where:
Base-Base interactions energy: -368.903
where: short stacking energy: -156.110
Base-Backbone interact. energy: -0.863
local terms energy: -193.297137
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -40.485
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -48.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -485.301145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.301145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.301145 (E_RNA)
where:
Base-Base interactions energy: -312.446
where: short stacking energy: -144.574
Base-Backbone interact. energy: 0.100
local terms energy: -172.955336
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -41.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -365.933416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.933416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.933416 (E_RNA)
where:
Base-Base interactions energy: -213.233
where: short stacking energy: -110.987
Base-Backbone interact. energy: -0.621
local terms energy: -152.079634
where:
bonds (distance) C4'-P energy: -32.090
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -28.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -313.783870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.783870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.783870 (E_RNA)
where:
Base-Base interactions energy: -185.047
where: short stacking energy: -88.227
Base-Backbone interact. energy: -0.844
local terms energy: -127.893063
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -191.774776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774776 (E_RNA)
where:
Base-Base interactions energy: -73.427
where: short stacking energy: -66.304
Base-Backbone interact. energy: -1.371
local terms energy: -116.976514
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -169.731136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.731136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.731136 (E_RNA)
where:
Base-Base interactions energy: -38.617
where: short stacking energy: -34.607
Base-Backbone interact. energy: -0.793
local terms energy: -130.321394
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -40.113
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: 6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -658.604071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.604071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.604071 (E_RNA)
where:
Base-Base interactions energy: -440.878
where: short stacking energy: -200.688
Base-Backbone interact. energy: 2.712
local terms energy: -220.437995
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -47.158
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -59.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -647.340247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.340247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.340247 (E_RNA)
where:
Base-Base interactions energy: -426.304
where: short stacking energy: -189.300
Base-Backbone interact. energy: -0.170
local terms energy: -220.865825
where:
bonds (distance) C4'-P energy: -44.089
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -47.637
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -61.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -635.863451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.863451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.863451 (E_RNA)
where:
Base-Base interactions energy: -442.648
where: short stacking energy: -198.136
Base-Backbone interact. energy: -0.651
local terms energy: -192.564520
where:
bonds (distance) C4'-P energy: -42.360
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -37.196
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -59.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -598.039512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.039512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.039512 (E_RNA)
where:
Base-Base interactions energy: -402.701
where: short stacking energy: -177.764
Base-Backbone interact. energy: -0.719
local terms energy: -194.619804
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -55.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -572.601442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.601442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.601442 (E_RNA)
where:
Base-Base interactions energy: -372.608
where: short stacking energy: -154.459
Base-Backbone interact. energy: -0.814
local terms energy: -199.179406
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -40.469
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -53.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -505.347399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.347399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.347399 (E_RNA)
where:
Base-Base interactions energy: -318.750
where: short stacking energy: -141.733
Base-Backbone interact. energy: -0.923
local terms energy: -185.674317
where:
bonds (distance) C4'-P energy: -37.811
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -43.844
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -40.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -403.431938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.431938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.431938 (E_RNA)
where:
Base-Base interactions energy: -256.126
where: short stacking energy: -106.705
Base-Backbone interact. energy: -0.975
local terms energy: -146.330998
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -23.469
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: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -325.318532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.318532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.318532 (E_RNA)
where:
Base-Base interactions energy: -182.694
where: short stacking energy: -85.398
Base-Backbone interact. energy: 0.378
local terms energy: -143.002727
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -276.814086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.814086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.814086 (E_RNA)
where:
Base-Base interactions energy: -151.128
where: short stacking energy: -82.476
Base-Backbone interact. energy: -0.389
local terms energy: -125.296988
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -40.611
flat angles C4'-P-C4' energy: -39.764
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -171.440578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.440578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.440578 (E_RNA)
where:
Base-Base interactions energy: -46.862
where: short stacking energy: -39.920
Base-Backbone interact. energy: 0.410
local terms energy: -124.988332
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -661.035518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.035518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.035518 (E_RNA)
where:
Base-Base interactions energy: -430.967
where: short stacking energy: -204.270
Base-Backbone interact. energy: -2.485
local terms energy: -227.584069
where:
bonds (distance) C4'-P energy: -46.301
bonds (distance) P-C4' energy: -44.705
flat angles C4'-P-C4' energy: -43.675
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -63.736
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: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -643.283457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.283457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.283457 (E_RNA)
where:
Base-Base interactions energy: -433.161
where: short stacking energy: -190.899
Base-Backbone interact. energy: -0.189
local terms energy: -209.934341
where:
bonds (distance) C4'-P energy: -40.838
bonds (distance) P-C4' energy: -40.250
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -60.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -611.007406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.007406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.007406 (E_RNA)
where:
Base-Base interactions energy: -409.337
where: short stacking energy: -186.250
Base-Backbone interact. energy: -1.013
local terms energy: -200.657957
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -56.482
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: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -601.383394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.383394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.383394 (E_RNA)
where:
Base-Base interactions energy: -394.679
where: short stacking energy: -178.124
Base-Backbone interact. energy: -0.416
local terms energy: -206.288270
where:
bonds (distance) C4'-P energy: -35.447
bonds (distance) P-C4' energy: -40.933
flat angles C4'-P-C4' energy: -39.584
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -57.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -547.258092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.258092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.258092 (E_RNA)
where:
Base-Base interactions energy: -368.515
where: short stacking energy: -147.812
Base-Backbone interact. energy: -0.840
local terms energy: -177.902583
where:
bonds (distance) C4'-P energy: -32.757
bonds (distance) P-C4' energy: -37.570
flat angles C4'-P-C4' energy: -36.428
flat angles P-C4'-P energy: -25.135
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: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -484.687064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.687064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.687064 (E_RNA)
where:
Base-Base interactions energy: -308.133
where: short stacking energy: -134.199
Base-Backbone interact. energy: -1.152
local terms energy: -175.401864
where:
bonds (distance) C4'-P energy: -31.753
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -36.339
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: -41.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -409.996743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.996743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.996743 (E_RNA)
where:
Base-Base interactions energy: -248.347
where: short stacking energy: -121.698
Base-Backbone interact. energy: -1.961
local terms energy: -159.688527
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -41.944
flat angles C4'-P-C4' energy: -39.134
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -288.482756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.482756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.482756 (E_RNA)
where:
Base-Base interactions energy: -176.067
where: short stacking energy: -96.663
Base-Backbone interact. energy: -1.034
local terms energy: -111.381418
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -236.742811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.742811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.742811 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -76.127
Base-Backbone interact. energy: -0.776
local terms energy: -116.849972
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -169.715611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.715611 (E_RNA)
where:
Base-Base interactions energy: -59.825
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.673
local terms energy: -109.217102
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -41.232
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -668.133746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.133746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.133746 (E_RNA)
where:
Base-Base interactions energy: -447.102
where: short stacking energy: -207.107
Base-Backbone interact. energy: -0.500
local terms energy: -220.531825
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -62.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -667.399032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.399032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.399032 (E_RNA)
where:
Base-Base interactions energy: -458.107
where: short stacking energy: -214.352
Base-Backbone interact. energy: -0.178
local terms energy: -209.113988
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -65.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -603.439427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.439427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.439427 (E_RNA)
where:
Base-Base interactions energy: -398.753
where: short stacking energy: -182.597
Base-Backbone interact. energy: -0.740
local terms energy: -203.945586
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -44.439
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -53.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -618.302320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.302320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.302320 (E_RNA)
where:
Base-Base interactions energy: -415.960
where: short stacking energy: -189.818
Base-Backbone interact. energy: -0.533
local terms energy: -201.809624
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -37.038
tors. eta vs tors. theta energy: -54.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -566.740643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.740643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.740643 (E_RNA)
where:
Base-Base interactions energy: -387.761
where: short stacking energy: -159.135
Base-Backbone interact. energy: -0.553
local terms energy: -178.426248
where:
bonds (distance) C4'-P energy: -33.419
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -43.458
flat angles P-C4'-P energy: -26.427
tors. eta vs tors. theta energy: -47.722
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: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -549.826440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.826440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.826440 (E_RNA)
where:
Base-Base interactions energy: -361.181
where: short stacking energy: -168.308
Base-Backbone interact. energy: 2.953
local terms energy: -191.598111
where:
bonds (distance) C4'-P energy: -41.768
bonds (distance) P-C4' energy: -35.983
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -48.603
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: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -430.212388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.212388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.212388 (E_RNA)
where:
Base-Base interactions energy: -262.269
where: short stacking energy: -117.215
Base-Backbone interact. energy: -0.585
local terms energy: -167.358481
where:
bonds (distance) C4'-P energy: -36.858
bonds (distance) P-C4' energy: -37.715
flat angles C4'-P-C4' energy: -34.035
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -308.196289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.196289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.196289 (E_RNA)
where:
Base-Base interactions energy: -162.357
where: short stacking energy: -96.422
Base-Backbone interact. energy: -0.994
local terms energy: -144.845266
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -36.630
flat angles C4'-P-C4' energy: -35.594
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -191.802002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.802002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.802002 (E_RNA)
where:
Base-Base interactions energy: -80.102
where: short stacking energy: -42.489
Base-Backbone interact. energy: 0.405
local terms energy: -112.104685
where:
bonds (distance) C4'-P energy: -35.664
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: 4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -169.900515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.900515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.900515 (E_RNA)
where:
Base-Base interactions energy: -58.835
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.705
local terms energy: -110.361446
where:
bonds (distance) C4'-P energy: -35.732
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -653.495381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.495381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.495381 (E_RNA)
where:
Base-Base interactions energy: -431.552
where: short stacking energy: -190.909
Base-Backbone interact. energy: 0.089
local terms energy: -222.031707
where:
bonds (distance) C4'-P energy: -43.258
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -38.381
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -64.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -661.339355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.339355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.339355 (E_RNA)
where:
Base-Base interactions energy: -444.931
where: short stacking energy: -202.705
Base-Backbone interact. energy: -0.238
local terms energy: -216.171075
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -41.200
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -65.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -633.713926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.713926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.713926 (E_RNA)
where:
Base-Base interactions energy: -416.967
where: short stacking energy: -192.709
Base-Backbone interact. energy: -1.415
local terms energy: -215.332378
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -47.015
flat angles P-C4'-P energy: -33.444
tors. eta vs tors. theta energy: -52.989
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -605.780512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.780512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.780512 (E_RNA)
where:
Base-Base interactions energy: -403.862
where: short stacking energy: -189.019
Base-Backbone interact. energy: -1.178
local terms energy: -200.739951
where:
bonds (distance) C4'-P energy: -33.767
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -55.472
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: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -594.306175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.306175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.306175 (E_RNA)
where:
Base-Base interactions energy: -405.263
where: short stacking energy: -157.520
Base-Backbone interact. energy: -0.195
local terms energy: -188.848086
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -51.507
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: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -564.527381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.527381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.527381 (E_RNA)
where:
Base-Base interactions energy: -384.240
where: short stacking energy: -173.969
Base-Backbone interact. energy: -0.432
local terms energy: -179.855157
where:
bonds (distance) C4'-P energy: -39.300
bonds (distance) P-C4' energy: -38.205
flat angles C4'-P-C4' energy: -36.158
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -49.471
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: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -397.519972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.519972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.519972 (E_RNA)
where:
Base-Base interactions energy: -249.731
where: short stacking energy: -110.543
Base-Backbone interact. energy: -1.598
local terms energy: -146.191010
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -33.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -325.433839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.433839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.433839 (E_RNA)
where:
Base-Base interactions energy: -188.528
where: short stacking energy: -88.697
Base-Backbone interact. energy: -0.341
local terms energy: -136.564927
where:
bonds (distance) C4'-P energy: -34.302
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -16.761
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: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -194.242645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.242645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.242645 (E_RNA)
where:
Base-Base interactions energy: -70.670
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.774
local terms energy: -122.798717
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -35.418
flat angles P-C4'-P energy: -17.920
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: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -162.561078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.561078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.561078 (E_RNA)
where:
Base-Base interactions energy: -49.827
where: short stacking energy: -45.006
Base-Backbone interact. energy: -1.026
local terms energy: -111.707705
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: 9.813
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: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -666.593611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.593611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.593611 (E_RNA)
where:
Base-Base interactions energy: -454.729
where: short stacking energy: -211.144
Base-Backbone interact. energy: -0.498
local terms energy: -211.366625
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -38.792
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -68.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -648.327631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.327631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.327631 (E_RNA)
where:
Base-Base interactions energy: -441.089
where: short stacking energy: -194.599
Base-Backbone interact. energy: 0.665
local terms energy: -207.903291
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -45.032
flat angles P-C4'-P energy: -23.523
tors. eta vs tors. theta energy: -64.621
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: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -630.103389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.103389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.103389 (E_RNA)
where:
Base-Base interactions energy: -412.849
where: short stacking energy: -189.330
Base-Backbone interact. energy: -0.712
local terms energy: -216.542100
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -45.905
flat angles C4'-P-C4' energy: -43.134
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -59.309
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: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -593.527281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.527281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.527281 (E_RNA)
where:
Base-Base interactions energy: -398.150
where: short stacking energy: -180.980
Base-Backbone interact. energy: -0.096
local terms energy: -195.281572
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -45.041
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -47.290
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: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -593.513647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.513647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.513647 (E_RNA)
where:
Base-Base interactions energy: -401.738
where: short stacking energy: -162.845
Base-Backbone interact. energy: -0.378
local terms energy: -191.397893
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -35.676
flat angles C4'-P-C4' energy: -43.432
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -50.895
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: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -565.652003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.652003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.652003 (E_RNA)
where:
Base-Base interactions energy: -376.964
where: short stacking energy: -163.436
Base-Backbone interact. energy: -0.103
local terms energy: -188.584811
where:
bonds (distance) C4'-P energy: -37.103
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -41.584
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -52.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -354.079030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.079030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.079030 (E_RNA)
where:
Base-Base interactions energy: -198.829
where: short stacking energy: -103.872
Base-Backbone interact. energy: -0.535
local terms energy: -154.714576
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -42.886
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -32.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -355.568469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.568469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.568469 (E_RNA)
where:
Base-Base interactions energy: -211.818
where: short stacking energy: -105.231
Base-Backbone interact. energy: 1.070
local terms energy: -144.820810
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -187.781708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.781708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.781708 (E_RNA)
where:
Base-Base interactions energy: -73.762
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.604
local terms energy: -113.416016
where:
bonds (distance) C4'-P energy: -39.122
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -7.309
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: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -167.456786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.456786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.456786 (E_RNA)
where:
Base-Base interactions energy: -72.958
where: short stacking energy: -53.789
Base-Backbone interact. energy: 0.227
local terms energy: -94.725603
where:
bonds (distance) C4'-P energy: -26.741
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: 7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -687.983481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.983481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.983481 (E_RNA)
where:
Base-Base interactions energy: -470.159
where: short stacking energy: -202.489
Base-Backbone interact. energy: -0.917
local terms energy: -216.907774
where:
bonds (distance) C4'-P energy: -45.879
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -59.670
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: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -621.745426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.745426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.745426 (E_RNA)
where:
Base-Base interactions energy: -423.992
where: short stacking energy: -181.643
Base-Backbone interact. energy: -0.123
local terms energy: -197.630987
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -44.650
flat angles C4'-P-C4' energy: -40.560
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -56.377
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: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -618.822338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.822338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.822338 (E_RNA)
where:
Base-Base interactions energy: -407.027
where: short stacking energy: -173.547
Base-Backbone interact. energy: 0.740
local terms energy: -212.535759
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -42.426
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: -55.167
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: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -575.037548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.037548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.037548 (E_RNA)
where:
Base-Base interactions energy: -398.331
where: short stacking energy: -174.077
Base-Backbone interact. energy: -0.542
local terms energy: -176.164175
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -43.816
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -50.442
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -572.295054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.295054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.295054 (E_RNA)
where:
Base-Base interactions energy: -379.539
where: short stacking energy: -155.745
Base-Backbone interact. energy: -0.766
local terms energy: -191.990553
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -41.973
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -55.402
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: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -556.694489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.694489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.694489 (E_RNA)
where:
Base-Base interactions energy: -367.912
where: short stacking energy: -169.618
Base-Backbone interact. energy: -1.991
local terms energy: -186.791275
where:
bonds (distance) C4'-P energy: -42.575
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -49.506
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: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -362.359545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.359545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.359545 (E_RNA)
where:
Base-Base interactions energy: -222.069
where: short stacking energy: -93.072
Base-Backbone interact. energy: -0.969
local terms energy: -139.321107
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -20.921
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: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -372.944671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.944671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.944671 (E_RNA)
where:
Base-Base interactions energy: -230.233
where: short stacking energy: -108.684
Base-Backbone interact. energy: 0.355
local terms energy: -143.066641
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -177.182145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182145 (E_RNA)
where:
Base-Base interactions energy: -72.301
where: short stacking energy: -50.381
Base-Backbone interact. energy: 5.596
local terms energy: -110.477198
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -41.394
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: 6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -181.029444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.029444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.029444 (E_RNA)
where:
Base-Base interactions energy: -50.777
where: short stacking energy: -47.737
Base-Backbone interact. energy: -0.787
local terms energy: -129.465641
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -660.392292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.392292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.392292 (E_RNA)
where:
Base-Base interactions energy: -432.957
where: short stacking energy: -194.890
Base-Backbone interact. energy: -0.510
local terms energy: -226.925133
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -45.419
flat angles C4'-P-C4' energy: -48.139
flat angles P-C4'-P energy: -34.633
tors. eta vs tors. theta energy: -57.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -610.974691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.974691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.974691 (E_RNA)
where:
Base-Base interactions energy: -403.057
where: short stacking energy: -180.681
Base-Backbone interact. energy: -0.506
local terms energy: -207.411555
where:
bonds (distance) C4'-P energy: -36.309
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -43.431
flat angles P-C4'-P energy: -34.139
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: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -600.954569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.954569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.954569 (E_RNA)
where:
Base-Base interactions energy: -408.484
where: short stacking energy: -187.445
Base-Backbone interact. energy: -0.223
local terms energy: -192.247314
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -49.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -577.789050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.789050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.789050 (E_RNA)
where:
Base-Base interactions energy: -378.481
where: short stacking energy: -161.970
Base-Backbone interact. energy: -0.186
local terms energy: -199.122412
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -49.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -569.438064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.438064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.438064 (E_RNA)
where:
Base-Base interactions energy: -378.232
where: short stacking energy: -170.104
Base-Backbone interact. energy: -0.588
local terms energy: -190.618046
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -54.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -581.533033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.533033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.533033 (E_RNA)
where:
Base-Base interactions energy: -386.034
where: short stacking energy: -148.943
Base-Backbone interact. energy: -1.354
local terms energy: -194.144951
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -41.350
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -28.090
tors. eta vs tors. theta energy: -50.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -379.691216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.691216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.691216 (E_RNA)
where:
Base-Base interactions energy: -216.387
where: short stacking energy: -108.919
Base-Backbone interact. energy: 0.975
local terms energy: -164.279372
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -39.225
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -325.656364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.656364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.656364 (E_RNA)
where:
Base-Base interactions energy: -202.687
where: short stacking energy: -97.520
Base-Backbone interact. energy: -0.994
local terms energy: -121.974764
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -38.852
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -12.584
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: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -203.619143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619143 (E_RNA)
where:
Base-Base interactions energy: -90.337
where: short stacking energy: -66.820
Base-Backbone interact. energy: 0.979
local terms energy: -114.261441
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -175.220930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220930 (E_RNA)
where:
Base-Base interactions energy: -65.438
where: short stacking energy: -48.857
Base-Backbone interact. energy: 0.205
local terms energy: -109.988458
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -686.808912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.808912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.808912 (E_RNA)
where:
Base-Base interactions energy: -461.400
where: short stacking energy: -198.657
Base-Backbone interact. energy: 0.507
local terms energy: -225.915282
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -41.540
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -65.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -617.612003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.612003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.612003 (E_RNA)
where:
Base-Base interactions energy: -407.399
where: short stacking energy: -185.729
Base-Backbone interact. energy: -0.374
local terms energy: -209.838523
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -37.601
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -61.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -605.075636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.075636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.075636 (E_RNA)
where:
Base-Base interactions energy: -403.545
where: short stacking energy: -184.442
Base-Backbone interact. energy: 3.714
local terms energy: -205.244842
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -36.679
flat angles C4'-P-C4' energy: -48.200
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -52.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -610.056472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.056472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.056472 (E_RNA)
where:
Base-Base interactions energy: -400.498
where: short stacking energy: -170.460
Base-Backbone interact. energy: -0.896
local terms energy: -208.662488
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -46.062
flat angles C4'-P-C4' energy: -41.554
flat angles P-C4'-P energy: -31.207
tors. eta vs tors. theta energy: -54.799
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: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -568.215352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.215352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.215352 (E_RNA)
where:
Base-Base interactions energy: -384.601
where: short stacking energy: -180.059
Base-Backbone interact. energy: -0.691
local terms energy: -182.923251
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -50.579
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: 463
Temperature: 1.150000
Total energy: -558.653584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.653584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.653584 (E_RNA)
where:
Base-Base interactions energy: -377.003
where: short stacking energy: -147.243
Base-Backbone interact. energy: 2.800
local terms energy: -184.450524
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -35.141
flat angles C4'-P-C4' energy: -39.060
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -49.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -340.524511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.524511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.524511 (E_RNA)
where:
Base-Base interactions energy: -191.492
where: short stacking energy: -91.472
Base-Backbone interact. energy: 1.644
local terms energy: -150.677103
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -35.594
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -22.808
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: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -334.647891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.647891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.647891 (E_RNA)
where:
Base-Base interactions energy: -195.616
where: short stacking energy: -95.001
Base-Backbone interact. energy: -0.746
local terms energy: -138.286359
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -40.632
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -202.951578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.951578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.951578 (E_RNA)
where:
Base-Base interactions energy: -82.064
where: short stacking energy: -60.419
Base-Backbone interact. energy: -1.226
local terms energy: -119.661996
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -42.165
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -179.687176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.687176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.687176 (E_RNA)
where:
Base-Base interactions energy: -60.349
where: short stacking energy: -49.206
Base-Backbone interact. energy: -0.429
local terms energy: -118.909365
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -680.462067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.462067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.462067 (E_RNA)
where:
Base-Base interactions energy: -459.561
where: short stacking energy: -204.013
Base-Backbone interact. energy: -1.083
local terms energy: -219.818652
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -48.785
flat angles P-C4'-P energy: -33.756
tors. eta vs tors. theta energy: -62.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -646.192829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.192829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.192829 (E_RNA)
where:
Base-Base interactions energy: -434.421
where: short stacking energy: -200.016
Base-Backbone interact. energy: -0.343
local terms energy: -211.428631
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -45.000
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: -65.166
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: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -619.908021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.908021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.908021 (E_RNA)
where:
Base-Base interactions energy: -411.427
where: short stacking energy: -178.304
Base-Backbone interact. energy: -0.446
local terms energy: -208.034502
where:
bonds (distance) C4'-P energy: -40.908
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -30.533
tors. eta vs tors. theta energy: -53.395
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: 464
Temperature: 1.050000
Total energy: -587.256660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.256660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.256660 (E_RNA)
where:
Base-Base interactions energy: -377.424
where: short stacking energy: -177.086
Base-Backbone interact. energy: -0.010
local terms energy: -209.823574
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -44.245
flat angles C4'-P-C4' energy: -46.013
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -52.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -573.812076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.812076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.812076 (E_RNA)
where:
Base-Base interactions energy: -388.923
where: short stacking energy: -161.439
Base-Backbone interact. energy: -0.260
local terms energy: -184.628881
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -46.029
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: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -516.742483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.742483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.742483 (E_RNA)
where:
Base-Base interactions energy: -339.914
where: short stacking energy: -144.128
Base-Backbone interact. energy: -1.468
local terms energy: -175.361297
where:
bonds (distance) C4'-P energy: -24.239
bonds (distance) P-C4' energy: -31.526
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -42.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -363.073508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.073508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.073508 (E_RNA)
where:
Base-Base interactions energy: -212.467
where: short stacking energy: -102.234
Base-Backbone interact. energy: -0.750
local terms energy: -149.856373
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -286.071781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.071781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.071781 (E_RNA)
where:
Base-Base interactions energy: -164.182
where: short stacking energy: -82.482
Base-Backbone interact. energy: -1.172
local terms energy: -120.717493
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -215.694561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.694561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.694561 (E_RNA)
where:
Base-Base interactions energy: -94.313
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.452
local terms energy: -120.929381
where:
bonds (distance) C4'-P energy: -33.524
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -38.165
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -178.015733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.015733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.015733 (E_RNA)
where:
Base-Base interactions energy: -78.685
where: short stacking energy: -53.951
Base-Backbone interact. energy: 0.307
local terms energy: -99.637151
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: 4.768
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: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -673.423677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.423677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.423677 (E_RNA)
where:
Base-Base interactions energy: -452.224
where: short stacking energy: -206.216
Base-Backbone interact. energy: -0.631
local terms energy: -220.569275
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -48.009
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -63.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -629.688522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.688522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.688522 (E_RNA)
where:
Base-Base interactions energy: -415.894
where: short stacking energy: -202.852
Base-Backbone interact. energy: -0.004
local terms energy: -213.790512
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -46.477
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: -62.078
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: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -617.688968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.688968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.688968 (E_RNA)
where:
Base-Base interactions energy: -394.398
where: short stacking energy: -169.187
Base-Backbone interact. energy: -0.238
local terms energy: -223.052238
where:
bonds (distance) C4'-P energy: -36.994
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -48.021
flat angles P-C4'-P energy: -31.290
tors. eta vs tors. theta energy: -64.877
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: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -594.966315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.966315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.966315 (E_RNA)
where:
Base-Base interactions energy: -400.355
where: short stacking energy: -178.817
Base-Backbone interact. energy: -0.740
local terms energy: -193.871321
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -51.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -581.326259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.326259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.326259 (E_RNA)
where:
Base-Base interactions energy: -393.487
where: short stacking energy: -155.180
Base-Backbone interact. energy: -0.629
local terms energy: -187.210626
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -48.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -512.561533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.561533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.561533 (E_RNA)
where:
Base-Base interactions energy: -331.966
where: short stacking energy: -136.291
Base-Backbone interact. energy: -0.851
local terms energy: -179.743875
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -42.406
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -43.400
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: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -356.152335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.152335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.152335 (E_RNA)
where:
Base-Base interactions energy: -211.742
where: short stacking energy: -97.505
Base-Backbone interact. energy: -0.976
local terms energy: -143.434349
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -245.170531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.170531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.170531 (E_RNA)
where:
Base-Base interactions energy: -124.470
where: short stacking energy: -62.309
Base-Backbone interact. energy: 0.857
local terms energy: -121.557943
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -201.603568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.603568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.603568 (E_RNA)
where:
Base-Base interactions energy: -82.573
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.097
local terms energy: -118.934474
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: 1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -178.241066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.241066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.241066 (E_RNA)
where:
Base-Base interactions energy: -63.796
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.748
local terms energy: -113.697840
where:
bonds (distance) C4'-P energy: -33.465
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -677.233532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.233532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.233532 (E_RNA)
where:
Base-Base interactions energy: -456.636
where: short stacking energy: -202.410
Base-Backbone interact. energy: -0.641
local terms energy: -219.956206
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -46.358
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -66.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -624.231802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.231802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.231802 (E_RNA)
where:
Base-Base interactions energy: -415.533
where: short stacking energy: -202.004
Base-Backbone interact. energy: -0.692
local terms energy: -208.006361
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -45.295
flat angles C4'-P-C4' energy: -48.307
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -54.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -622.255684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.255684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.255684 (E_RNA)
where:
Base-Base interactions energy: -408.002
where: short stacking energy: -195.319
Base-Backbone interact. energy: -0.027
local terms energy: -214.227171
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -41.735
flat angles C4'-P-C4' energy: -41.232
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -63.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -607.913582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.913582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.913582 (E_RNA)
where:
Base-Base interactions energy: -422.400
where: short stacking energy: -173.131
Base-Backbone interact. energy: -0.660
local terms energy: -184.853445
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -57.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -551.395955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.395955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.395955 (E_RNA)
where:
Base-Base interactions energy: -358.583
where: short stacking energy: -154.476
Base-Backbone interact. energy: -0.106
local terms energy: -192.706318
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -28.025
tors. eta vs tors. theta energy: -48.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -563.253280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.253280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.253280 (E_RNA)
where:
Base-Base interactions energy: -371.814
where: short stacking energy: -156.854
Base-Backbone interact. energy: -0.721
local terms energy: -190.717679
where:
bonds (distance) C4'-P energy: -42.564
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -44.426
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -45.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -377.056542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.056542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.056542 (E_RNA)
where:
Base-Base interactions energy: -228.633
where: short stacking energy: -108.084
Base-Backbone interact. energy: -0.625
local terms energy: -147.799104
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -30.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -277.006501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.006501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.006501 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -74.532
Base-Backbone interact. energy: 0.928
local terms energy: -128.270373
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -198.746408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.746408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.746408 (E_RNA)
where:
Base-Base interactions energy: -94.758
where: short stacking energy: -60.887
Base-Backbone interact. energy: 1.375
local terms energy: -105.363224
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: 9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -171.950571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.950571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.950571 (E_RNA)
where:
Base-Base interactions energy: -62.723
where: short stacking energy: -38.390
Base-Backbone interact. energy: 0.147
local terms energy: -109.375099
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -42.287
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: 14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -670.841260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.841260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.841260 (E_RNA)
where:
Base-Base interactions energy: -441.903
where: short stacking energy: -196.208
Base-Backbone interact. energy: -0.307
local terms energy: -228.631258
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -45.824
flat angles C4'-P-C4' energy: -48.111
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -62.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -624.268725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.268725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.268725 (E_RNA)
where:
Base-Base interactions energy: -401.682
where: short stacking energy: -186.601
Base-Backbone interact. energy: -0.676
local terms energy: -221.910639
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -38.094
flat angles C4'-P-C4' energy: -42.616
flat angles P-C4'-P energy: -35.565
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: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -597.242275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.242275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.242275 (E_RNA)
where:
Base-Base interactions energy: -391.007
where: short stacking energy: -161.429
Base-Backbone interact. energy: -0.917
local terms energy: -205.318035
where:
bonds (distance) C4'-P energy: -39.055
bonds (distance) P-C4' energy: -38.935
flat angles C4'-P-C4' energy: -40.906
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -56.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -595.278612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.278612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.278612 (E_RNA)
where:
Base-Base interactions energy: -395.035
where: short stacking energy: -177.818
Base-Backbone interact. energy: -0.509
local terms energy: -199.733973
where:
bonds (distance) C4'-P energy: -39.133
bonds (distance) P-C4' energy: -38.104
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -55.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -545.888177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.888177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.888177 (E_RNA)
where:
Base-Base interactions energy: -350.735
where: short stacking energy: -143.273
Base-Backbone interact. energy: -1.610
local terms energy: -193.543604
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -45.738
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: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -562.419325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.419325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.419325 (E_RNA)
where:
Base-Base interactions energy: -366.537
where: short stacking energy: -160.009
Base-Backbone interact. energy: -0.001
local terms energy: -195.881238
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -42.917
flat angles C4'-P-C4' energy: -40.492
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -53.618
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: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -400.635572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.635572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.635572 (E_RNA)
where:
Base-Base interactions energy: -242.850
where: short stacking energy: -121.963
Base-Backbone interact. energy: -0.569
local terms energy: -157.216619
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -23.973
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: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -296.746930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.746930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.746930 (E_RNA)
where:
Base-Base interactions energy: -149.630
where: short stacking energy: -80.144
Base-Backbone interact. energy: -0.659
local terms energy: -146.458081
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -38.905
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -188.093785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.093785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.093785 (E_RNA)
where:
Base-Base interactions energy: -65.008
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.287
local terms energy: -122.799201
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -39.339
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: 0.247
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: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -165.927242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.927242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.927242 (E_RNA)
where:
Base-Base interactions energy: -42.368
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.780
local terms energy: -122.779290
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -670.932426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.932426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.932426 (E_RNA)
where:
Base-Base interactions energy: -462.460
where: short stacking energy: -200.676
Base-Backbone interact. energy: -0.967
local terms energy: -207.504873
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -43.461
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -62.124
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: 468
Temperature: 0.950000
Total energy: -622.365743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.365743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.365743 (E_RNA)
where:
Base-Base interactions energy: -400.870
where: short stacking energy: -186.861
Base-Backbone interact. energy: -0.640
local terms energy: -220.855919
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -40.024
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -64.694
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: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -602.162130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.162130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.162130 (E_RNA)
where:
Base-Base interactions energy: -405.067
where: short stacking energy: -186.415
Base-Backbone interact. energy: 0.234
local terms energy: -197.328873
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -28.368
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: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -590.023596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.023596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.023596 (E_RNA)
where:
Base-Base interactions energy: -401.104
where: short stacking energy: -187.449
Base-Backbone interact. energy: 1.590
local terms energy: -190.509078
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -57.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -567.857071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.857071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.857071 (E_RNA)
where:
Base-Base interactions energy: -385.491
where: short stacking energy: -161.790
Base-Backbone interact. energy: -1.758
local terms energy: -180.607494
where:
bonds (distance) C4'-P energy: -42.149
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -37.108
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -47.895
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: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -552.756867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.756867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.756867 (E_RNA)
where:
Base-Base interactions energy: -376.785
where: short stacking energy: -165.423
Base-Backbone interact. energy: -0.812
local terms energy: -175.159864
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -48.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -378.382152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.382152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.382152 (E_RNA)
where:
Base-Base interactions energy: -234.414
where: short stacking energy: -112.448
Base-Backbone interact. energy: -0.615
local terms energy: -143.353311
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -253.511073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.511073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.511073 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.513
local terms energy: -123.554471
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -20.431
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: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -201.734078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.734078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.734078 (E_RNA)
where:
Base-Base interactions energy: -85.361
where: short stacking energy: -59.765
Base-Backbone interact. energy: -1.175
local terms energy: -115.197256
where:
bonds (distance) C4'-P energy: -37.153
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: 2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -180.559888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.559888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.559888 (E_RNA)
where:
Base-Base interactions energy: -69.019
where: short stacking energy: -60.458
Base-Backbone interact. energy: 2.552
local terms energy: -114.092836
where:
bonds (distance) C4'-P energy: -37.941
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -673.748271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.748271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.748271 (E_RNA)
where:
Base-Base interactions energy: -462.468
where: short stacking energy: -188.533
Base-Backbone interact. energy: -1.462
local terms energy: -209.818047
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -43.196
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -59.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -626.139906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.139906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.139906 (E_RNA)
where:
Base-Base interactions energy: -417.487
where: short stacking energy: -175.270
Base-Backbone interact. energy: -0.276
local terms energy: -208.377240
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -44.247
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -51.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -599.545376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.545376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.545376 (E_RNA)
where:
Base-Base interactions energy: -407.313
where: short stacking energy: -171.583
Base-Backbone interact. energy: 0.085
local terms energy: -192.318050
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -44.999
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -47.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -602.655703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.655703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.655703 (E_RNA)
where:
Base-Base interactions energy: -407.173
where: short stacking energy: -188.832
Base-Backbone interact. energy: -0.969
local terms energy: -194.513589
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -39.954
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -64.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -574.901939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.901939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.901939 (E_RNA)
where:
Base-Base interactions energy: -375.954
where: short stacking energy: -153.443
Base-Backbone interact. energy: -0.354
local terms energy: -198.593446
where:
bonds (distance) C4'-P energy: -37.852
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -42.939
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -53.297
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: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -536.119570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.119570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.119570 (E_RNA)
where:
Base-Base interactions energy: -359.432
where: short stacking energy: -163.323
Base-Backbone interact. energy: -1.838
local terms energy: -174.849811
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -43.922
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -46.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -339.746941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.746941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.746941 (E_RNA)
where:
Base-Base interactions energy: -191.887
where: short stacking energy: -113.394
Base-Backbone interact. energy: 2.767
local terms energy: -150.627367
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -256.855654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.855654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.855654 (E_RNA)
where:
Base-Base interactions energy: -111.619
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.544
local terms energy: -144.693120
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -198.827530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.827530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.827530 (E_RNA)
where:
Base-Base interactions energy: -84.358
where: short stacking energy: -54.405
Base-Backbone interact. energy: -1.734
local terms energy: -112.736302
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -41.080
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -30.345
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: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -163.129350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.129350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.129350 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -40.764
Base-Backbone interact. energy: -1.108
local terms energy: -117.136184
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -36.011
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: 6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -671.590003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.590003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.590003 (E_RNA)
where:
Base-Base interactions energy: -459.764
where: short stacking energy: -194.452
Base-Backbone interact. energy: -0.438
local terms energy: -211.388033
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -62.010
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: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -609.108044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.108044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.108044 (E_RNA)
where:
Base-Base interactions energy: -403.949
where: short stacking energy: -177.275
Base-Backbone interact. energy: 0.173
local terms energy: -205.331764
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -41.721
flat angles C4'-P-C4' energy: -49.558
flat angles P-C4'-P energy: -19.920
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -617.108407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.108407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.108407 (E_RNA)
where:
Base-Base interactions energy: -414.126
where: short stacking energy: -168.976
Base-Backbone interact. energy: -0.031
local terms energy: -202.951071
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -42.375
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -29.961
tors. eta vs tors. theta energy: -48.309
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: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -608.912253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.912253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.912253 (E_RNA)
where:
Base-Base interactions energy: -414.822
where: short stacking energy: -174.627
Base-Backbone interact. energy: 0.269
local terms energy: -194.359484
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -52.987
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: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -556.649251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.649251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.649251 (E_RNA)
where:
Base-Base interactions energy: -369.018
where: short stacking energy: -157.896
Base-Backbone interact. energy: 2.071
local terms energy: -189.702040
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -23.619
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: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -541.568457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.568457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.568457 (E_RNA)
where:
Base-Base interactions energy: -354.196
where: short stacking energy: -174.417
Base-Backbone interact. energy: -0.020
local terms energy: -187.352545
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -53.963
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: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -358.765688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.765688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.765688 (E_RNA)
where:
Base-Base interactions energy: -232.956
where: short stacking energy: -109.424
Base-Backbone interact. energy: 0.441
local terms energy: -126.250023
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -350.023351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.023351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.023351 (E_RNA)
where:
Base-Base interactions energy: -220.621
where: short stacking energy: -96.805
Base-Backbone interact. energy: -0.419
local terms energy: -128.982605
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -192.906953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.906953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.906953 (E_RNA)
where:
Base-Base interactions energy: -82.181
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.667
local terms energy: -110.059224
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -184.858599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.858599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.858599 (E_RNA)
where:
Base-Base interactions energy: -62.162
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.844
local terms energy: -121.852565
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -673.109228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.109228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.109228 (E_RNA)
where:
Base-Base interactions energy: -465.821
where: short stacking energy: -202.080
Base-Backbone interact. energy: -0.578
local terms energy: -206.709734
where:
bonds (distance) C4'-P energy: -39.459
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -46.585
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -61.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -606.775692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.775692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.775692 (E_RNA)
where:
Base-Base interactions energy: -395.493
where: short stacking energy: -183.830
Base-Backbone interact. energy: -0.946
local terms energy: -210.336496
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -41.100
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -54.843
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: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -616.051628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.051628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.051628 (E_RNA)
where:
Base-Base interactions energy: -411.434
where: short stacking energy: -187.467
Base-Backbone interact. energy: -0.065
local terms energy: -204.552892
where:
bonds (distance) C4'-P energy: -36.096
bonds (distance) P-C4' energy: -36.878
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -28.632
tors. eta vs tors. theta energy: -57.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -612.018835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.018835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.018835 (E_RNA)
where:
Base-Base interactions energy: -400.973
where: short stacking energy: -178.446
Base-Backbone interact. energy: -2.013
local terms energy: -209.032411
where:
bonds (distance) C4'-P energy: -39.681
bonds (distance) P-C4' energy: -42.083
flat angles C4'-P-C4' energy: -41.891
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -54.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -549.339798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.339798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.339798 (E_RNA)
where:
Base-Base interactions energy: -366.720
where: short stacking energy: -150.212
Base-Backbone interact. energy: -0.835
local terms energy: -181.784804
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -38.991
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -27.351
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: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -554.301884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.301884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.301884 (E_RNA)
where:
Base-Base interactions energy: -363.581
where: short stacking energy: -149.471
Base-Backbone interact. energy: 0.134
local terms energy: -190.854742
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -42.845
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -48.884
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: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -353.189414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.189414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.189414 (E_RNA)
where:
Base-Base interactions energy: -206.051
where: short stacking energy: -99.583
Base-Backbone interact. energy: 0.043
local terms energy: -147.180885
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -369.821537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.821537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.821537 (E_RNA)
where:
Base-Base interactions energy: -218.026
where: short stacking energy: -102.526
Base-Backbone interact. energy: -0.455
local terms energy: -151.341163
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -181.712730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.712730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.712730 (E_RNA)
where:
Base-Base interactions energy: -71.639
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.618
local terms energy: -109.456287
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: 5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -171.819987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.819987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.819987 (E_RNA)
where:
Base-Base interactions energy: -71.760
where: short stacking energy: -49.316
Base-Backbone interact. energy: -1.618
local terms energy: -98.442020
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: 3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -680.983533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.983533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.983533 (E_RNA)
where:
Base-Base interactions energy: -461.261
where: short stacking energy: -209.457
Base-Backbone interact. energy: -0.239
local terms energy: -219.483967
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -47.390
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -60.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -614.908345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.908345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.908345 (E_RNA)
where:
Base-Base interactions energy: -403.110
where: short stacking energy: -185.191
Base-Backbone interact. energy: -0.907
local terms energy: -210.891546
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -56.733
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: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -632.457943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.457943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.457943 (E_RNA)
where:
Base-Base interactions energy: -427.117
where: short stacking energy: -191.708
Base-Backbone interact. energy: -0.230
local terms energy: -205.111247
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -36.370
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: -57.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -586.855769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.855769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.855769 (E_RNA)
where:
Base-Base interactions energy: -385.229
where: short stacking energy: -172.672
Base-Backbone interact. energy: -1.450
local terms energy: -200.176707
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -55.602
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: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -580.043544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.043544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.043544 (E_RNA)
where:
Base-Base interactions energy: -386.645
where: short stacking energy: -170.357
Base-Backbone interact. energy: -0.355
local terms energy: -193.043945
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -40.066
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -54.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -520.130501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.130501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.130501 (E_RNA)
where:
Base-Base interactions energy: -337.413
where: short stacking energy: -146.928
Base-Backbone interact. energy: -1.478
local terms energy: -181.240277
where:
bonds (distance) C4'-P energy: -39.542
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -50.976
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: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -362.448621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.448621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.448621 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -77.631
Base-Backbone interact. energy: 1.330
local terms energy: -158.327191
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -24.230
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: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -380.764160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.764160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.764160 (E_RNA)
where:
Base-Base interactions energy: -223.144
where: short stacking energy: -105.804
Base-Backbone interact. energy: -0.757
local terms energy: -156.862832
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -213.843469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.843469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.843469 (E_RNA)
where:
Base-Base interactions energy: -96.741
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.244
local terms energy: -116.858871
where:
bonds (distance) C4'-P energy: -40.682
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -27.741
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -209.152343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.152343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152343 (E_RNA)
where:
Base-Base interactions energy: -85.837
where: short stacking energy: -57.481
Base-Backbone interact. energy: 5.368
local terms energy: -128.683592
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: 6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -675.509133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.509133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.509133 (E_RNA)
where:
Base-Base interactions energy: -474.085
where: short stacking energy: -197.538
Base-Backbone interact. energy: -0.775
local terms energy: -200.649245
where:
bonds (distance) C4'-P energy: -37.059
bonds (distance) P-C4' energy: -41.025
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -61.694
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: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -651.128113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.128113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.128113 (E_RNA)
where:
Base-Base interactions energy: -433.190
where: short stacking energy: -192.739
Base-Backbone interact. energy: -0.354
local terms energy: -217.583660
where:
bonds (distance) C4'-P energy: -38.292
bonds (distance) P-C4' energy: -42.485
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -66.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -613.124360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.124360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.124360 (E_RNA)
where:
Base-Base interactions energy: -399.910
where: short stacking energy: -179.102
Base-Backbone interact. energy: -0.764
local terms energy: -212.449618
where:
bonds (distance) C4'-P energy: -40.320
bonds (distance) P-C4' energy: -37.712
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -57.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -601.611224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.611224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.611224 (E_RNA)
where:
Base-Base interactions energy: -406.314
where: short stacking energy: -162.244
Base-Backbone interact. energy: -0.697
local terms energy: -194.600254
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -41.960
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -53.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -571.348599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.348599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.348599 (E_RNA)
where:
Base-Base interactions energy: -381.127
where: short stacking energy: -183.162
Base-Backbone interact. energy: -0.274
local terms energy: -189.947606
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -41.305
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -56.930
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: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -524.195014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.195014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.195014 (E_RNA)
where:
Base-Base interactions energy: -345.246
where: short stacking energy: -140.111
Base-Backbone interact. energy: -0.205
local terms energy: -178.744112
where:
bonds (distance) C4'-P energy: -36.504
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -40.109
flat angles P-C4'-P energy: -24.435
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: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -338.365316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.365316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.365316 (E_RNA)
where:
Base-Base interactions energy: -197.481
where: short stacking energy: -116.913
Base-Backbone interact. energy: -0.464
local terms energy: -140.420780
where:
bonds (distance) C4'-P energy: -30.340
bonds (distance) P-C4' energy: -36.229
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -356.239426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.239426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.239426 (E_RNA)
where:
Base-Base interactions energy: -221.826
where: short stacking energy: -101.122
Base-Backbone interact. energy: 2.038
local terms energy: -136.451744
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -43.391
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -12.411
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: 473
Temperature: 1.300000
Total energy: -180.343430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.343430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.343430 (E_RNA)
where:
Base-Base interactions energy: -60.866
where: short stacking energy: -40.525
Base-Backbone interact. energy: -1.087
local terms energy: -118.390282
where:
bonds (distance) C4'-P energy: -41.995
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: 6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -162.324828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.324828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.324828 (E_RNA)
where:
Base-Base interactions energy: -46.821
where: short stacking energy: -37.215
Base-Backbone interact. energy: 0.024
local terms energy: -115.526971
where:
bonds (distance) C4'-P energy: -35.596
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -693.950707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.950707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.950707 (E_RNA)
where:
Base-Base interactions energy: -476.437
where: short stacking energy: -213.740
Base-Backbone interact. energy: -1.747
local terms energy: -215.766308
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -66.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -640.662225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.662225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.662225 (E_RNA)
where:
Base-Base interactions energy: -425.492
where: short stacking energy: -182.773
Base-Backbone interact. energy: 1.099
local terms energy: -216.268917
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -45.634
flat angles P-C4'-P energy: -34.046
tors. eta vs tors. theta energy: -58.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -601.380405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.380405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.380405 (E_RNA)
where:
Base-Base interactions energy: -406.512
where: short stacking energy: -176.700
Base-Backbone interact. energy: -0.062
local terms energy: -194.805990
where:
bonds (distance) C4'-P energy: -42.407
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -35.940
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -56.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -582.450127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.450127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.450127 (E_RNA)
where:
Base-Base interactions energy: -378.625
where: short stacking energy: -165.553
Base-Backbone interact. energy: -0.470
local terms energy: -203.355100
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -47.072
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -49.046
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: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -556.934075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.934075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.934075 (E_RNA)
where:
Base-Base interactions energy: -366.413
where: short stacking energy: -164.801
Base-Backbone interact. energy: -1.424
local terms energy: -189.097527
where:
bonds (distance) C4'-P energy: -37.974
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -40.652
flat angles P-C4'-P energy: -25.167
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: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -557.246958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.246958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.246958 (E_RNA)
where:
Base-Base interactions energy: -372.229
where: short stacking energy: -172.609
Base-Backbone interact. energy: -1.254
local terms energy: -183.763537
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -32.851
flat angles P-C4'-P energy: -27.002
tors. eta vs tors. theta energy: -54.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -368.211598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.211598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.211598 (E_RNA)
where:
Base-Base interactions energy: -219.072
where: short stacking energy: -108.210
Base-Backbone interact. energy: 2.412
local terms energy: -151.551537
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -24.885
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: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -284.644404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.644404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.644404 (E_RNA)
where:
Base-Base interactions energy: -141.178
where: short stacking energy: -75.212
Base-Backbone interact. energy: 0.386
local terms energy: -143.851651
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -41.433
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -194.597388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.597388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.597388 (E_RNA)
where:
Base-Base interactions energy: -87.060
where: short stacking energy: -56.309
Base-Backbone interact. energy: 0.983
local terms energy: -108.520316
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -186.620560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.620560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.620560 (E_RNA)
where:
Base-Base interactions energy: -66.170
where: short stacking energy: -39.113
Base-Backbone interact. energy: 1.762
local terms energy: -122.213100
where:
bonds (distance) C4'-P energy: -40.720
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: 3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -678.729893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.729893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.729893 (E_RNA)
where:
Base-Base interactions energy: -463.456
where: short stacking energy: -204.829
Base-Backbone interact. energy: -0.299
local terms energy: -214.974846
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -46.944
flat angles C4'-P-C4' energy: -47.255
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -59.201
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: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -632.731725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.731725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.731725 (E_RNA)
where:
Base-Base interactions energy: -422.603
where: short stacking energy: -192.089
Base-Backbone interact. energy: -0.206
local terms energy: -209.922713
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -39.830
flat angles C4'-P-C4' energy: -45.785
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -62.069
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: 475
Temperature: 1.000000
Total energy: -629.033510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.033510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.033510 (E_RNA)
where:
Base-Base interactions energy: -410.729
where: short stacking energy: -177.873
Base-Backbone interact. energy: -0.417
local terms energy: -217.887327
where:
bonds (distance) C4'-P energy: -43.974
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -45.511
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -62.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -546.543238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.543238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.543238 (E_RNA)
where:
Base-Base interactions energy: -361.846
where: short stacking energy: -160.138
Base-Backbone interact. energy: -0.831
local terms energy: -183.866897
where:
bonds (distance) C4'-P energy: -39.767
bonds (distance) P-C4' energy: -41.437
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -573.156070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.156070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.156070 (E_RNA)
where:
Base-Base interactions energy: -387.855
where: short stacking energy: -173.319
Base-Backbone interact. energy: -0.234
local terms energy: -185.067324
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -33.755
flat angles C4'-P-C4' energy: -46.042
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -48.439
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: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -557.761718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.761718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.761718 (E_RNA)
where:
Base-Base interactions energy: -383.533
where: short stacking energy: -171.213
Base-Backbone interact. energy: -0.119
local terms energy: -174.109811
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -46.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -354.633059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.633059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.633059 (E_RNA)
where:
Base-Base interactions energy: -207.937
where: short stacking energy: -98.239
Base-Backbone interact. energy: -0.904
local terms energy: -145.792218
where:
bonds (distance) C4'-P energy: -42.178
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -15.022
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: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -331.897333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.897333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.897333 (E_RNA)
where:
Base-Base interactions energy: -176.682
where: short stacking energy: -84.152
Base-Backbone interact. energy: -0.337
local terms energy: -154.878459
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -36.890
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -188.621987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.621987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.621987 (E_RNA)
where:
Base-Base interactions energy: -72.861
where: short stacking energy: -56.014
Base-Backbone interact. energy: -1.640
local terms energy: -114.121293
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -169.409380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.409380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.409380 (E_RNA)
where:
Base-Base interactions energy: -73.431
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.011
local terms energy: -95.967859
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -686.772228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.772228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.772228 (E_RNA)
where:
Base-Base interactions energy: -467.778
where: short stacking energy: -207.856
Base-Backbone interact. energy: -0.501
local terms energy: -218.492573
where:
bonds (distance) C4'-P energy: -44.277
bonds (distance) P-C4' energy: -37.190
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -64.170
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: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -640.978513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.978513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.978513 (E_RNA)
where:
Base-Base interactions energy: -421.369
where: short stacking energy: -191.632
Base-Backbone interact. energy: -0.383
local terms energy: -219.226471
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -40.890
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -60.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -641.166051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.166051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.166051 (E_RNA)
where:
Base-Base interactions energy: -428.529
where: short stacking energy: -190.887
Base-Backbone interact. energy: -0.340
local terms energy: -212.297063
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -40.876
flat angles C4'-P-C4' energy: -38.458
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -61.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -552.459600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.459600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.459600 (E_RNA)
where:
Base-Base interactions energy: -347.811
where: short stacking energy: -153.506
Base-Backbone interact. energy: -1.136
local terms energy: -203.513490
where:
bonds (distance) C4'-P energy: -35.684
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -48.307
flat angles P-C4'-P energy: -27.770
tors. eta vs tors. theta energy: -50.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -557.614887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.614887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.614887 (E_RNA)
where:
Base-Base interactions energy: -374.690
where: short stacking energy: -169.215
Base-Backbone interact. energy: 0.754
local terms energy: -183.678222
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -39.200
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -50.659
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: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -551.876203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.876203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.876203 (E_RNA)
where:
Base-Base interactions energy: -358.680
where: short stacking energy: -154.778
Base-Backbone interact. energy: -0.033
local terms energy: -193.163202
where:
bonds (distance) C4'-P energy: -35.916
bonds (distance) P-C4' energy: -32.971
flat angles C4'-P-C4' energy: -44.735
flat angles P-C4'-P energy: -30.342
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: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -325.685022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.685022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.685022 (E_RNA)
where:
Base-Base interactions energy: -191.825
where: short stacking energy: -103.841
Base-Backbone interact. energy: 0.076
local terms energy: -133.936744
where:
bonds (distance) C4'-P energy: -41.259
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -330.581729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.581729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.581729 (E_RNA)
where:
Base-Base interactions energy: -205.081
where: short stacking energy: -96.493
Base-Backbone interact. energy: -0.634
local terms energy: -124.866443
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -34.981
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -230.955813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.955813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.955813 (E_RNA)
where:
Base-Base interactions energy: -117.515
where: short stacking energy: -70.163
Base-Backbone interact. energy: -0.519
local terms energy: -112.922053
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -26.790
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -5.815
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: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -171.954339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.954339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.954339 (E_RNA)
where:
Base-Base interactions energy: -57.755
where: short stacking energy: -47.315
Base-Backbone interact. energy: 0.946
local terms energy: -115.145438
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -680.593053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.593053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.593053 (E_RNA)
where:
Base-Base interactions energy: -469.313
where: short stacking energy: -200.256
Base-Backbone interact. energy: 0.429
local terms energy: -211.709560
where:
bonds (distance) C4'-P energy: -39.598
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -42.944
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -62.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -645.764305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.764305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.764305 (E_RNA)
where:
Base-Base interactions energy: -425.399
where: short stacking energy: -197.952
Base-Backbone interact. energy: -0.199
local terms energy: -220.165752
where:
bonds (distance) C4'-P energy: -38.961
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -57.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -640.755499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.755499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.755499 (E_RNA)
where:
Base-Base interactions energy: -424.169
where: short stacking energy: -177.332
Base-Backbone interact. energy: -0.316
local terms energy: -216.270588
where:
bonds (distance) C4'-P energy: -40.952
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -42.658
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -63.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -576.062643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.062643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.062643 (E_RNA)
where:
Base-Base interactions energy: -385.528
where: short stacking energy: -167.276
Base-Backbone interact. energy: -0.451
local terms energy: -190.083976
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -43.422
flat angles C4'-P-C4' energy: -41.257
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -50.582
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: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -540.739237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.739237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.739237 (E_RNA)
where:
Base-Base interactions energy: -372.880
where: short stacking energy: -162.034
Base-Backbone interact. energy: -0.444
local terms energy: -167.415020
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -580.799347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.799347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.799347 (E_RNA)
where:
Base-Base interactions energy: -389.741
where: short stacking energy: -167.868
Base-Backbone interact. energy: -1.481
local terms energy: -189.577117
where:
bonds (distance) C4'-P energy: -36.671
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -54.953
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: 477
Temperature: 1.200000
Total energy: -364.820882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.820882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.820882 (E_RNA)
where:
Base-Base interactions energy: -219.979
where: short stacking energy: -112.114
Base-Backbone interact. energy: -2.179
local terms energy: -142.662611
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -362.240434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.240434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.240434 (E_RNA)
where:
Base-Base interactions energy: -203.833
where: short stacking energy: -108.519
Base-Backbone interact. energy: -0.454
local terms energy: -157.953753
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -18.847
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -213.876758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876758 (E_RNA)
where:
Base-Base interactions energy: -96.145
where: short stacking energy: -64.058
Base-Backbone interact. energy: -0.667
local terms energy: -117.064698
where:
bonds (distance) C4'-P energy: -39.656
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -0.246
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: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -164.417715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.417715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.417715 (E_RNA)
where:
Base-Base interactions energy: -65.041
where: short stacking energy: -49.388
Base-Backbone interact. energy: -0.472
local terms energy: -98.904468
where:
bonds (distance) C4'-P energy: -34.135
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: 6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -672.583724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.583724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.583724 (E_RNA)
where:
Base-Base interactions energy: -463.285
where: short stacking energy: -196.910
Base-Backbone interact. energy: -0.864
local terms energy: -208.434422
where:
bonds (distance) C4'-P energy: -44.235
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -44.339
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -58.566
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: 478
Temperature: 0.950000
Total energy: -629.753051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.753051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.753051 (E_RNA)
where:
Base-Base interactions energy: -422.593
where: short stacking energy: -185.958
Base-Backbone interact. energy: -1.040
local terms energy: -206.119924
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -61.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -640.522619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.522619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.522619 (E_RNA)
where:
Base-Base interactions energy: -448.619
where: short stacking energy: -201.261
Base-Backbone interact. energy: 0.266
local terms energy: -192.169450
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -65.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -592.894823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.894823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.894823 (E_RNA)
where:
Base-Base interactions energy: -387.224
where: short stacking energy: -180.985
Base-Backbone interact. energy: -0.637
local terms energy: -205.033585
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -55.446
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: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -565.402910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.402910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.402910 (E_RNA)
where:
Base-Base interactions energy: -378.402
where: short stacking energy: -168.365
Base-Backbone interact. energy: -0.060
local terms energy: -186.940101
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -43.030
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -47.227
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: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -505.886528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.886528 (E_RNA)
where:
Base-Base interactions energy: -331.022
where: short stacking energy: -147.390
Base-Backbone interact. energy: -0.221
local terms energy: -174.643230
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -40.552
flat angles C4'-P-C4' energy: -39.016
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -40.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -372.461910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.461910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.461910 (E_RNA)
where:
Base-Base interactions energy: -210.532
where: short stacking energy: -105.492
Base-Backbone interact. energy: 0.254
local terms energy: -162.184406
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -34.652
flat angles C4'-P-C4' energy: -41.121
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -29.439
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: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -334.667812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.667812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.667812 (E_RNA)
where:
Base-Base interactions energy: -192.669
where: short stacking energy: -100.210
Base-Backbone interact. energy: 5.077
local terms energy: -147.075202
where:
bonds (distance) C4'-P energy: -37.904
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -186.689864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.689864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.689864 (E_RNA)
where:
Base-Base interactions energy: -64.358
where: short stacking energy: -50.063
Base-Backbone interact. energy: 0.211
local terms energy: -122.542115
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -169.383856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.383856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.383856 (E_RNA)
where:
Base-Base interactions energy: -79.092
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.622
local terms energy: -89.669724
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: 6.640
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: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -669.754616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.754616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.754616 (E_RNA)
where:
Base-Base interactions energy: -451.097
where: short stacking energy: -190.048
Base-Backbone interact. energy: -0.025
local terms energy: -218.632206
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -62.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -646.574955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.574955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.574955 (E_RNA)
where:
Base-Base interactions energy: -424.341
where: short stacking energy: -191.402
Base-Backbone interact. energy: -0.126
local terms energy: -222.108568
where:
bonds (distance) C4'-P energy: -39.603
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -43.900
flat angles P-C4'-P energy: -33.920
tors. eta vs tors. theta energy: -61.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -644.585067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.585067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.585067 (E_RNA)
where:
Base-Base interactions energy: -425.588
where: short stacking energy: -188.153
Base-Backbone interact. energy: -0.349
local terms energy: -218.648538
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -48.117
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -62.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -578.588071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.588071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.588071 (E_RNA)
where:
Base-Base interactions energy: -386.378
where: short stacking energy: -176.785
Base-Backbone interact. energy: -0.686
local terms energy: -191.524123
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -41.014
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -54.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -556.071398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.071398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.071398 (E_RNA)
where:
Base-Base interactions energy: -370.314
where: short stacking energy: -154.047
Base-Backbone interact. energy: -0.753
local terms energy: -185.004613
where:
bonds (distance) C4'-P energy: -36.084
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -42.969
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -42.683
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: 479
Temperature: 1.150000
Total energy: -513.564724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.564724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.564724 (E_RNA)
where:
Base-Base interactions energy: -327.719
where: short stacking energy: -136.461
Base-Backbone interact. energy: -0.111
local terms energy: -185.734307
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -46.069
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: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -361.477494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.477494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.477494 (E_RNA)
where:
Base-Base interactions energy: -196.743
where: short stacking energy: -84.859
Base-Backbone interact. energy: 1.208
local terms energy: -165.942250
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -11.867
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: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -295.612664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.612664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.612664 (E_RNA)
where:
Base-Base interactions energy: -158.232
where: short stacking energy: -79.538
Base-Backbone interact. energy: -0.650
local terms energy: -136.731069
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -39.884
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -174.187861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.187861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187861 (E_RNA)
where:
Base-Base interactions energy: -70.187
where: short stacking energy: -58.804
Base-Backbone interact. energy: -1.320
local terms energy: -102.680754
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: 5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -155.863530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.863530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.863530 (E_RNA)
where:
Base-Base interactions energy: -51.910
where: short stacking energy: -40.256
Base-Backbone interact. energy: -0.733
local terms energy: -103.220108
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -36.078
flat angles C4'-P-C4' energy: -38.483
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: 15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -661.719092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.719092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.719092 (E_RNA)
where:
Base-Base interactions energy: -445.904
where: short stacking energy: -197.122
Base-Backbone interact. energy: -0.122
local terms energy: -215.693803
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -38.443
flat angles C4'-P-C4' energy: -42.603
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -70.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -656.417654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.417654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.417654 (E_RNA)
where:
Base-Base interactions energy: -458.979
where: short stacking energy: -202.156
Base-Backbone interact. energy: -0.390
local terms energy: -197.049312
where:
bonds (distance) C4'-P energy: -40.123
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -40.260
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -58.664
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -626.945575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.945575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.945575 (E_RNA)
where:
Base-Base interactions energy: -419.468
where: short stacking energy: -192.568
Base-Backbone interact. energy: 0.917
local terms energy: -208.395351
where:
bonds (distance) C4'-P energy: -39.441
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -45.353
flat angles P-C4'-P energy: -26.206
tors. eta vs tors. theta energy: -59.309
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: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -576.645666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.645666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.645666 (E_RNA)
where:
Base-Base interactions energy: -390.835
where: short stacking energy: -176.544
Base-Backbone interact. energy: -0.388
local terms energy: -185.421789
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -40.926
flat angles P-C4'-P energy: -31.378
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: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -568.256210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.256210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.256210 (E_RNA)
where:
Base-Base interactions energy: -368.077
where: short stacking energy: -168.592
Base-Backbone interact. energy: 0.308
local terms energy: -200.487086
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -32.130
tors. eta vs tors. theta energy: -51.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -485.090883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.090883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.090883 (E_RNA)
where:
Base-Base interactions energy: -314.320
where: short stacking energy: -131.157
Base-Backbone interact. energy: 1.058
local terms energy: -171.828716
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -34.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -330.226186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.226186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.226186 (E_RNA)
where:
Base-Base interactions energy: -179.355
where: short stacking energy: -97.310
Base-Backbone interact. energy: -1.051
local terms energy: -149.820032
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -294.324357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.324357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.324357 (E_RNA)
where:
Base-Base interactions energy: -162.902
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.447
local terms energy: -130.975557
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -44.725
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -191.915516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.915516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.915516 (E_RNA)
where:
Base-Base interactions energy: -89.880
where: short stacking energy: -59.348
Base-Backbone interact. energy: -1.578
local terms energy: -100.458080
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: 2.015
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: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -180.911384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.911384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.911384 (E_RNA)
where:
Base-Base interactions energy: -62.708
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.910
local terms energy: -117.293621
where:
bonds (distance) C4'-P energy: -39.649
bonds (distance) P-C4' energy: -36.690
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -669.893704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.893704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.893704 (E_RNA)
where:
Base-Base interactions energy: -452.770
where: short stacking energy: -198.489
Base-Backbone interact. energy: -0.684
local terms energy: -216.439381
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -67.692
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -633.897751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.897751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.897751 (E_RNA)
where:
Base-Base interactions energy: -415.254
where: short stacking energy: -197.530
Base-Backbone interact. energy: -0.703
local terms energy: -217.940129
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -44.390
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -63.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -641.140690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.140690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.140690 (E_RNA)
where:
Base-Base interactions energy: -441.338
where: short stacking energy: -182.256
Base-Backbone interact. energy: -0.565
local terms energy: -199.238312
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -54.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -565.190257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.190257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.190257 (E_RNA)
where:
Base-Base interactions energy: -369.549
where: short stacking energy: -158.481
Base-Backbone interact. energy: -0.570
local terms energy: -195.070285
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -39.742
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -52.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -555.315387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.315387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.315387 (E_RNA)
where:
Base-Base interactions energy: -366.584
where: short stacking energy: -160.684
Base-Backbone interact. energy: 1.854
local terms energy: -190.584999
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -41.957
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -46.305
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: 481
Temperature: 1.150000
Total energy: -513.861185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.861185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.861185 (E_RNA)
where:
Base-Base interactions energy: -344.280
where: short stacking energy: -147.074
Base-Backbone interact. energy: -0.702
local terms energy: -168.879745
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -37.474
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -22.729
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: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -342.217837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.217837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.217837 (E_RNA)
where:
Base-Base interactions energy: -194.683
where: short stacking energy: -103.194
Base-Backbone interact. energy: -0.500
local terms energy: -147.034447
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: -13.027
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: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -311.375747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.375747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.375747 (E_RNA)
where:
Base-Base interactions energy: -186.041
where: short stacking energy: -79.216
Base-Backbone interact. energy: 0.197
local terms energy: -125.532246
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -34.358
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -189.126263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.126263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.126263 (E_RNA)
where:
Base-Base interactions energy: -66.418
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.541
local terms energy: -122.167003
where:
bonds (distance) C4'-P energy: -37.289
bonds (distance) P-C4' energy: -38.488
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: 8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -175.954712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.954712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.954712 (E_RNA)
where:
Base-Base interactions energy: -67.098
where: short stacking energy: -48.273
Base-Backbone interact. energy: -0.380
local terms energy: -108.476833
where:
bonds (distance) C4'-P energy: -32.677
bonds (distance) P-C4' energy: -39.578
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: 6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -666.092178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.092178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.092178 (E_RNA)
where:
Base-Base interactions energy: -443.309
where: short stacking energy: -198.722
Base-Backbone interact. energy: -0.255
local terms energy: -222.528792
where:
bonds (distance) C4'-P energy: -40.257
bonds (distance) P-C4' energy: -42.576
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -66.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -633.321741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.321741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.321741 (E_RNA)
where:
Base-Base interactions energy: -422.051
where: short stacking energy: -198.253
Base-Backbone interact. energy: -0.207
local terms energy: -211.063866
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -39.230
flat angles C4'-P-C4' energy: -41.380
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -60.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -666.731258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.731258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.731258 (E_RNA)
where:
Base-Base interactions energy: -450.267
where: short stacking energy: -198.509
Base-Backbone interact. energy: -1.115
local terms energy: -215.350074
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -42.866
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -60.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -572.915071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.915071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.915071 (E_RNA)
where:
Base-Base interactions energy: -377.249
where: short stacking energy: -171.892
Base-Backbone interact. energy: -0.882
local terms energy: -194.783818
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -42.287
flat angles C4'-P-C4' energy: -45.584
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -47.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -568.579061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.579061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.579061 (E_RNA)
where:
Base-Base interactions energy: -373.435
where: short stacking energy: -163.249
Base-Backbone interact. energy: -1.037
local terms energy: -194.106384
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -46.943
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -46.644
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: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -529.333752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.333752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.333752 (E_RNA)
where:
Base-Base interactions energy: -351.372
where: short stacking energy: -149.457
Base-Backbone interact. energy: -0.913
local terms energy: -177.048484
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -41.795
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -43.623
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: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -335.129168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.129168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.129168 (E_RNA)
where:
Base-Base interactions energy: -181.995
where: short stacking energy: -96.443
Base-Backbone interact. energy: -0.441
local terms energy: -152.693025
where:
bonds (distance) C4'-P energy: -35.678
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -43.073
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: -20.607
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: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -367.707065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.707065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.707065 (E_RNA)
where:
Base-Base interactions energy: -225.527
where: short stacking energy: -109.801
Base-Backbone interact. energy: -0.612
local terms energy: -141.567464
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -182.413226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.413226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.413226 (E_RNA)
where:
Base-Base interactions energy: -63.372
where: short stacking energy: -60.678
Base-Backbone interact. energy: 1.419
local terms energy: -120.460565
where:
bonds (distance) C4'-P energy: -33.383
bonds (distance) P-C4' energy: -37.738
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -172.094015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.094015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.094015 (E_RNA)
where:
Base-Base interactions energy: -62.578
where: short stacking energy: -58.056
Base-Backbone interact. energy: 0.686
local terms energy: -110.202637
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -671.491939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.491939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.491939 (E_RNA)
where:
Base-Base interactions energy: -446.781
where: short stacking energy: -201.116
Base-Backbone interact. energy: -0.289
local terms energy: -224.422050
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -46.558
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -66.858
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: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -661.226849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.226849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.226849 (E_RNA)
where:
Base-Base interactions energy: -437.643
where: short stacking energy: -191.843
Base-Backbone interact. energy: 0.073
local terms energy: -223.657586
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -47.320
flat angles P-C4'-P energy: -29.946
tors. eta vs tors. theta energy: -66.930
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: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -613.394215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.394215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.394215 (E_RNA)
where:
Base-Base interactions energy: -411.329
where: short stacking energy: -189.760
Base-Backbone interact. energy: -0.214
local terms energy: -201.850841
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -39.139
flat angles C4'-P-C4' energy: -42.137
flat angles P-C4'-P energy: -30.625
tors. eta vs tors. theta energy: -52.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -576.264560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.264560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.264560 (E_RNA)
where:
Base-Base interactions energy: -380.810
where: short stacking energy: -163.049
Base-Backbone interact. energy: -0.447
local terms energy: -195.007926
where:
bonds (distance) C4'-P energy: -32.640
bonds (distance) P-C4' energy: -42.825
flat angles C4'-P-C4' energy: -41.757
flat angles P-C4'-P energy: -25.762
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -555.610212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.610212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.610212 (E_RNA)
where:
Base-Base interactions energy: -361.259
where: short stacking energy: -168.188
Base-Backbone interact. energy: -0.029
local terms energy: -194.322707
where:
bonds (distance) C4'-P energy: -30.329
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -45.031
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -51.100
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: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -514.291494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.291494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.291494 (E_RNA)
where:
Base-Base interactions energy: -343.659
where: short stacking energy: -139.635
Base-Backbone interact. energy: -0.613
local terms energy: -170.018669
where:
bonds (distance) C4'-P energy: -30.198
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -42.288
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: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -338.070926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.070926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.070926 (E_RNA)
where:
Base-Base interactions energy: -193.400
where: short stacking energy: -106.301
Base-Backbone interact. energy: 2.198
local terms energy: -146.868232
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -27.611
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -374.757460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.757460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.757460 (E_RNA)
where:
Base-Base interactions energy: -220.777
where: short stacking energy: -104.974
Base-Backbone interact. energy: -0.325
local terms energy: -153.655890
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -21.479
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: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -184.472172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.472172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.472172 (E_RNA)
where:
Base-Base interactions energy: -77.761
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.601
local terms energy: -106.110551
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -37.000
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: 4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -182.607705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.607705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.607705 (E_RNA)
where:
Base-Base interactions energy: -66.359
where: short stacking energy: -58.365
Base-Backbone interact. energy: 1.556
local terms energy: -117.804265
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -678.285282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.285282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.285282 (E_RNA)
where:
Base-Base interactions energy: -464.088
where: short stacking energy: -203.810
Base-Backbone interact. energy: 2.202
local terms energy: -216.398736
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -42.401
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -64.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -665.294182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.294182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.294182 (E_RNA)
where:
Base-Base interactions energy: -448.975
where: short stacking energy: -194.716
Base-Backbone interact. energy: 0.170
local terms energy: -216.489134
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -38.483
flat angles C4'-P-C4' energy: -47.398
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -56.247
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: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -609.661919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.661919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.661919 (E_RNA)
where:
Base-Base interactions energy: -404.883
where: short stacking energy: -188.699
Base-Backbone interact. energy: -1.638
local terms energy: -203.140538
where:
bonds (distance) C4'-P energy: -37.025
bonds (distance) P-C4' energy: -34.935
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -59.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -613.847839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.847839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.847839 (E_RNA)
where:
Base-Base interactions energy: -414.740
where: short stacking energy: -179.124
Base-Backbone interact. energy: -0.647
local terms energy: -198.460827
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -40.681
flat angles C4'-P-C4' energy: -42.212
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -54.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -594.542048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.542048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.542048 (E_RNA)
where:
Base-Base interactions energy: -388.633
where: short stacking energy: -177.392
Base-Backbone interact. energy: -0.857
local terms energy: -205.052493
where:
bonds (distance) C4'-P energy: -41.464
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -52.917
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: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -510.326860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.326860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.326860 (E_RNA)
where:
Base-Base interactions energy: -333.573
where: short stacking energy: -133.647
Base-Backbone interact. energy: -0.847
local terms energy: -175.906650
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -30.265
tors. eta vs tors. theta energy: -40.336
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: 484
Temperature: 1.200000
Total energy: -366.246103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.246103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.246103 (E_RNA)
where:
Base-Base interactions energy: -213.175
where: short stacking energy: -107.820
Base-Backbone interact. energy: -0.206
local terms energy: -152.864978
where:
bonds (distance) C4'-P energy: -35.377
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -28.171
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: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -316.336833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.336833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.336833 (E_RNA)
where:
Base-Base interactions energy: -196.126
where: short stacking energy: -99.917
Base-Backbone interact. energy: -1.260
local terms energy: -118.951555
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -185.351587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.351587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.351587 (E_RNA)
where:
Base-Base interactions energy: -53.134
where: short stacking energy: -44.644
Base-Backbone interact. energy: -1.201
local terms energy: -131.017263
where:
bonds (distance) C4'-P energy: -27.574
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: 5.558
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: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -175.656511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.656511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.656511 (E_RNA)
where:
Base-Base interactions energy: -57.321
where: short stacking energy: -54.217
Base-Backbone interact. energy: 3.424
local terms energy: -121.759460
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -37.185
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -660.844569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.844569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.844569 (E_RNA)
where:
Base-Base interactions energy: -441.513
where: short stacking energy: -192.809
Base-Backbone interact. energy: -0.158
local terms energy: -219.173357
where:
bonds (distance) C4'-P energy: -37.750
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -31.128
tors. eta vs tors. theta energy: -65.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -658.010495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.010495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.010495 (E_RNA)
where:
Base-Base interactions energy: -443.628
where: short stacking energy: -202.862
Base-Backbone interact. energy: -1.152
local terms energy: -213.230102
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -603.443798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.443798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.443798 (E_RNA)
where:
Base-Base interactions energy: -404.090
where: short stacking energy: -178.027
Base-Backbone interact. energy: -0.463
local terms energy: -198.890205
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: -49.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -581.755261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.755261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.755261 (E_RNA)
where:
Base-Base interactions energy: -383.892
where: short stacking energy: -179.552
Base-Backbone interact. energy: -0.192
local terms energy: -197.671424
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -40.785
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -27.449
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -593.197602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.197602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.197602 (E_RNA)
where:
Base-Base interactions energy: -408.075
where: short stacking energy: -176.688
Base-Backbone interact. energy: -0.004
local terms energy: -185.119045
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -36.939
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -54.290
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: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -536.023993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.023993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.023993 (E_RNA)
where:
Base-Base interactions energy: -376.247
where: short stacking energy: -168.011
Base-Backbone interact. energy: 1.594
local terms energy: -161.370844
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -50.508
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: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -419.387183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.387183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.387183 (E_RNA)
where:
Base-Base interactions energy: -247.616
where: short stacking energy: -125.724
Base-Backbone interact. energy: -1.415
local terms energy: -170.356660
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -37.282
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -38.964
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: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -311.992645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.992645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.992645 (E_RNA)
where:
Base-Base interactions energy: -175.061
where: short stacking energy: -90.112
Base-Backbone interact. energy: -0.959
local terms energy: -135.972710
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -32.301
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -183.140239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140239 (E_RNA)
where:
Base-Base interactions energy: -57.290
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.344
local terms energy: -125.506807
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -169.688594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.688594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.688594 (E_RNA)
where:
Base-Base interactions energy: -52.993
where: short stacking energy: -44.015
Base-Backbone interact. energy: -2.721
local terms energy: -113.973918
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -36.190
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: 6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -675.883863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.883863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.883863 (E_RNA)
where:
Base-Base interactions energy: -448.473
where: short stacking energy: -201.615
Base-Backbone interact. energy: 0.351
local terms energy: -227.761182
where:
bonds (distance) C4'-P energy: -40.138
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -42.222
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -66.400
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: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -655.869688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.869688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.869688 (E_RNA)
where:
Base-Base interactions energy: -440.537
where: short stacking energy: -192.047
Base-Backbone interact. energy: -0.624
local terms energy: -214.708861
where:
bonds (distance) C4'-P energy: -34.462
bonds (distance) P-C4' energy: -40.946
flat angles C4'-P-C4' energy: -45.470
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -59.725
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: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -596.628213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.628213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.628213 (E_RNA)
where:
Base-Base interactions energy: -397.145
where: short stacking energy: -181.795
Base-Backbone interact. energy: -0.803
local terms energy: -198.680185
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -37.862
flat angles C4'-P-C4' energy: -39.391
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -57.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -597.790506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.790506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.790506 (E_RNA)
where:
Base-Base interactions energy: -409.114
where: short stacking energy: -192.949
Base-Backbone interact. energy: -1.244
local terms energy: -187.432720
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -55.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -592.977755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.977755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.977755 (E_RNA)
where:
Base-Base interactions energy: -412.701
where: short stacking energy: -179.638
Base-Backbone interact. energy: -0.601
local terms energy: -179.676033
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -33.069
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -27.148
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: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -530.833622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.833622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.833622 (E_RNA)
where:
Base-Base interactions energy: -361.499
where: short stacking energy: -127.735
Base-Backbone interact. energy: 2.812
local terms energy: -172.146030
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -33.020
flat angles C4'-P-C4' energy: -38.507
flat angles P-C4'-P energy: -24.658
tors. eta vs tors. theta energy: -45.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -395.166066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.166066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.166066 (E_RNA)
where:
Base-Base interactions energy: -241.403
where: short stacking energy: -113.783
Base-Backbone interact. energy: 0.847
local terms energy: -154.609974
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -28.263
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: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -332.780657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.780657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.780657 (E_RNA)
where:
Base-Base interactions energy: -182.010
where: short stacking energy: -87.918
Base-Backbone interact. energy: -0.339
local terms energy: -150.430867
where:
bonds (distance) C4'-P energy: -45.061
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -34.110
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -222.024497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.024497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.024497 (E_RNA)
where:
Base-Base interactions energy: -104.733
where: short stacking energy: -63.977
Base-Backbone interact. energy: -0.356
local terms energy: -116.935573
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -29.571
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -2.699
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: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -166.492011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.492011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.492011 (E_RNA)
where:
Base-Base interactions energy: -54.973
where: short stacking energy: -50.189
Base-Backbone interact. energy: -0.902
local terms energy: -110.617471
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -667.354440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.354440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.354440 (E_RNA)
where:
Base-Base interactions energy: -461.487
where: short stacking energy: -204.011
Base-Backbone interact. energy: -0.122
local terms energy: -205.745519
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -39.175
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -65.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -652.817508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.817508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.817508 (E_RNA)
where:
Base-Base interactions energy: -436.132
where: short stacking energy: -205.602
Base-Backbone interact. energy: -0.258
local terms energy: -216.427190
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -64.128
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: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -611.354163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.354163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.354163 (E_RNA)
where:
Base-Base interactions energy: -400.752
where: short stacking energy: -176.911
Base-Backbone interact. energy: -1.031
local terms energy: -209.571236
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -39.931
flat angles C4'-P-C4' energy: -45.141
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -55.727
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: 487
Temperature: 1.050000
Total energy: -586.236228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.236228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.236228 (E_RNA)
where:
Base-Base interactions energy: -379.225
where: short stacking energy: -178.696
Base-Backbone interact. energy: 0.156
local terms energy: -207.167821
where:
bonds (distance) C4'-P energy: -42.302
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -54.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -588.715414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.715414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.715414 (E_RNA)
where:
Base-Base interactions energy: -410.327
where: short stacking energy: -183.504
Base-Backbone interact. energy: -0.339
local terms energy: -178.049703
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -43.845
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -55.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -517.586371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.586371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.586371 (E_RNA)
where:
Base-Base interactions energy: -333.165
where: short stacking energy: -158.793
Base-Backbone interact. energy: -0.086
local terms energy: -184.336007
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -40.066
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -53.440
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: 487
Temperature: 1.200000
Total energy: -368.612345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.612345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.612345 (E_RNA)
where:
Base-Base interactions energy: -202.039
where: short stacking energy: -107.029
Base-Backbone interact. energy: 1.371
local terms energy: -167.944021
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -41.458
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -27.090
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -341.183167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.183167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.183167 (E_RNA)
where:
Base-Base interactions energy: -191.429
where: short stacking energy: -91.958
Base-Backbone interact. energy: 2.810
local terms energy: -152.564387
where:
bonds (distance) C4'-P energy: -41.627
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -18.241
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: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -239.893691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.893691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.893691 (E_RNA)
where:
Base-Base interactions energy: -115.686
where: short stacking energy: -70.930
Base-Backbone interact. energy: -1.604
local terms energy: -122.604110
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -160.447253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.447253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.447253 (E_RNA)
where:
Base-Base interactions energy: -70.775
where: short stacking energy: -51.599
Base-Backbone interact. energy: -0.521
local terms energy: -89.151021
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -15.269
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -655.272372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.272372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.272372 (E_RNA)
where:
Base-Base interactions energy: -435.701
where: short stacking energy: -185.631
Base-Backbone interact. energy: -0.552
local terms energy: -219.019199
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -42.077
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -65.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -659.297875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.297875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.297875 (E_RNA)
where:
Base-Base interactions energy: -458.612
where: short stacking energy: -205.850
Base-Backbone interact. energy: 1.023
local terms energy: -201.708383
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -62.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -601.680487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.680487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.680487 (E_RNA)
where:
Base-Base interactions energy: -396.823
where: short stacking energy: -184.858
Base-Backbone interact. energy: -0.666
local terms energy: -204.191020
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -38.642
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: -56.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -596.505676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.505676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.505676 (E_RNA)
where:
Base-Base interactions energy: -409.465
where: short stacking energy: -183.817
Base-Backbone interact. energy: -0.349
local terms energy: -186.692078
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -43.430
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -56.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -593.428855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.428855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.428855 (E_RNA)
where:
Base-Base interactions energy: -393.843
where: short stacking energy: -181.552
Base-Backbone interact. energy: 1.021
local terms energy: -200.607651
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -35.131
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -52.565
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: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -531.607693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.607693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.607693 (E_RNA)
where:
Base-Base interactions energy: -349.307
where: short stacking energy: -156.193
Base-Backbone interact. energy: -0.525
local terms energy: -181.776123
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -43.727
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -343.253083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.253083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.253083 (E_RNA)
where:
Base-Base interactions energy: -206.498
where: short stacking energy: -111.499
Base-Backbone interact. energy: -0.101
local terms energy: -136.654089
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -19.233
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: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -328.699829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.699829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.699829 (E_RNA)
where:
Base-Base interactions energy: -171.224
where: short stacking energy: -97.410
Base-Backbone interact. energy: 0.853
local terms energy: -158.329686
where:
bonds (distance) C4'-P energy: -36.539
bonds (distance) P-C4' energy: -40.628
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -28.098
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: 488
Temperature: 1.300000
Total energy: -232.798352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.798352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.798352 (E_RNA)
where:
Base-Base interactions energy: -117.805
where: short stacking energy: -81.087
Base-Backbone interact. energy: 1.141
local terms energy: -116.134680
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -32.190
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -181.421053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.421053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.421053 (E_RNA)
where:
Base-Base interactions energy: -75.029
where: short stacking energy: -43.723
Base-Backbone interact. energy: 3.378
local terms energy: -109.770802
where:
bonds (distance) C4'-P energy: -33.710
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: 7.019
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: 489
Temperature: 0.900000
Total energy: -656.344711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.344711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.344711 (E_RNA)
where:
Base-Base interactions energy: -435.374
where: short stacking energy: -195.412
Base-Backbone interact. energy: -0.129
local terms energy: -220.841245
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -46.755
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -67.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -659.240518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.240518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.240518 (E_RNA)
where:
Base-Base interactions energy: -432.932
where: short stacking energy: -184.054
Base-Backbone interact. energy: 0.736
local terms energy: -227.044817
where:
bonds (distance) C4'-P energy: -41.322
bonds (distance) P-C4' energy: -36.967
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -63.007
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: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -594.150408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.150408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.150408 (E_RNA)
where:
Base-Base interactions energy: -407.804
where: short stacking energy: -181.232
Base-Backbone interact. energy: -0.392
local terms energy: -185.955158
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -40.576
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -50.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -594.093581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.093581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.093581 (E_RNA)
where:
Base-Base interactions energy: -389.079
where: short stacking energy: -174.305
Base-Backbone interact. energy: -0.002
local terms energy: -205.013290
where:
bonds (distance) C4'-P energy: -43.126
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -44.336
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -56.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -586.408793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.408793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.408793 (E_RNA)
where:
Base-Base interactions energy: -388.855
where: short stacking energy: -179.955
Base-Backbone interact. energy: -1.077
local terms energy: -196.476625
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -41.872
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -56.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -476.633822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.633822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.633822 (E_RNA)
where:
Base-Base interactions energy: -320.287
where: short stacking energy: -119.882
Base-Backbone interact. energy: 0.194
local terms energy: -156.540681
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -28.887
tors. eta vs tors. theta energy: -32.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -384.451089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.451089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.451089 (E_RNA)
where:
Base-Base interactions energy: -215.434
where: short stacking energy: -98.449
Base-Backbone interact. energy: -0.395
local terms energy: -168.622056
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -31.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -241.456543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.456543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.456543 (E_RNA)
where:
Base-Base interactions energy: -114.285
where: short stacking energy: -64.260
Base-Backbone interact. energy: 2.931
local terms energy: -130.101934
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -35.866
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -272.979862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.979862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.979862 (E_RNA)
where:
Base-Base interactions energy: -142.872
where: short stacking energy: -74.325
Base-Backbone interact. energy: -1.532
local terms energy: -128.575011
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -37.895
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -187.989532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.989532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.989532 (E_RNA)
where:
Base-Base interactions energy: -72.022
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.490
local terms energy: -115.476666
where:
bonds (distance) C4'-P energy: -38.022
bonds (distance) P-C4' energy: -42.405
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: 2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -675.062116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.062116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.062116 (E_RNA)
where:
Base-Base interactions energy: -454.662
where: short stacking energy: -217.504
Base-Backbone interact. energy: -0.763
local terms energy: -219.636405
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -40.691
flat angles C4'-P-C4' energy: -45.951
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -66.808
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: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -654.914936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.914936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.914936 (E_RNA)
where:
Base-Base interactions energy: -428.134
where: short stacking energy: -200.237
Base-Backbone interact. energy: 0.199
local terms energy: -226.979193
where:
bonds (distance) C4'-P energy: -42.116
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -66.534
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: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -610.349737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.349737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.349737 (E_RNA)
where:
Base-Base interactions energy: -412.855
where: short stacking energy: -177.261
Base-Backbone interact. energy: -0.042
local terms energy: -197.452633
where:
bonds (distance) C4'-P energy: -41.483
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -41.032
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -53.381
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: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -582.009110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.009110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.009110 (E_RNA)
where:
Base-Base interactions energy: -380.711
where: short stacking energy: -171.149
Base-Backbone interact. energy: -0.606
local terms energy: -200.691640
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -40.511
flat angles C4'-P-C4' energy: -40.255
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -51.916
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -597.395880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.395880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.395880 (E_RNA)
where:
Base-Base interactions energy: -400.518
where: short stacking energy: -181.706
Base-Backbone interact. energy: -1.327
local terms energy: -195.551175
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -37.680
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -54.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -490.646160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.646160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.646160 (E_RNA)
where:
Base-Base interactions energy: -313.847
where: short stacking energy: -128.680
Base-Backbone interact. energy: -1.342
local terms energy: -175.457388
where:
bonds (distance) C4'-P energy: -27.922
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -40.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -405.915612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.915612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.915612 (E_RNA)
where:
Base-Base interactions energy: -249.167
where: short stacking energy: -111.435
Base-Backbone interact. energy: -0.649
local terms energy: -156.099295
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -40.151
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -23.900
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: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -240.939000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.939000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.939000 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.350
local terms energy: -125.419687
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -37.038
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -10.056
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: 490
Temperature: 1.300000
Total energy: -269.331788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.331788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.331788 (E_RNA)
where:
Base-Base interactions energy: -155.695
where: short stacking energy: -78.250
Base-Backbone interact. energy: -0.316
local terms energy: -113.320930
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -175.721580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.721580 (E_RNA)
where:
Base-Base interactions energy: -66.061
where: short stacking energy: -49.537
Base-Backbone interact. energy: -1.460
local terms energy: -108.200052
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: 11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -665.470571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.470571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.470571 (E_RNA)
where:
Base-Base interactions energy: -432.316
where: short stacking energy: -197.456
Base-Backbone interact. energy: -0.840
local terms energy: -232.314402
where:
bonds (distance) C4'-P energy: -43.610
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -44.508
flat angles P-C4'-P energy: -34.017
tors. eta vs tors. theta energy: -68.194
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: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -654.740132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.740132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.740132 (E_RNA)
where:
Base-Base interactions energy: -435.067
where: short stacking energy: -195.218
Base-Backbone interact. energy: 2.680
local terms energy: -222.352986
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -43.410
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -66.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -631.948711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.948711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.948711 (E_RNA)
where:
Base-Base interactions energy: -418.839
where: short stacking energy: -192.049
Base-Backbone interact. energy: 0.159
local terms energy: -213.268786
where:
bonds (distance) C4'-P energy: -38.427
bonds (distance) P-C4' energy: -35.343
flat angles C4'-P-C4' energy: -47.455
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -61.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -579.925789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.925789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.925789 (E_RNA)
where:
Base-Base interactions energy: -381.505
where: short stacking energy: -166.774
Base-Backbone interact. energy: -0.514
local terms energy: -197.907073
where:
bonds (distance) C4'-P energy: -39.780
bonds (distance) P-C4' energy: -40.050
flat angles C4'-P-C4' energy: -41.988
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -50.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -592.913132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.913132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.913132 (E_RNA)
where:
Base-Base interactions energy: -394.574
where: short stacking energy: -178.366
Base-Backbone interact. energy: -0.443
local terms energy: -197.896091
where:
bonds (distance) C4'-P energy: -33.143
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -40.678
flat angles P-C4'-P energy: -32.007
tors. eta vs tors. theta energy: -57.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -510.688994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.688994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.688994 (E_RNA)
where:
Base-Base interactions energy: -338.834
where: short stacking energy: -141.826
Base-Backbone interact. energy: -1.303
local terms energy: -170.551779
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -39.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -434.029019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.029019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.029019 (E_RNA)
where:
Base-Base interactions energy: -298.559
where: short stacking energy: -130.373
Base-Backbone interact. energy: 0.038
local terms energy: -135.508358
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -314.862069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.862069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.862069 (E_RNA)
where:
Base-Base interactions energy: -178.341
where: short stacking energy: -94.225
Base-Backbone interact. energy: -0.569
local terms energy: -135.951756
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -180.263951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.263951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.263951 (E_RNA)
where:
Base-Base interactions energy: -66.131
where: short stacking energy: -42.568
Base-Backbone interact. energy: -1.285
local terms energy: -112.848078
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -180.863159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.863159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.863159 (E_RNA)
where:
Base-Base interactions energy: -69.636
where: short stacking energy: -62.278
Base-Backbone interact. energy: -2.491
local terms energy: -108.735721
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -674.257148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.257148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.257148 (E_RNA)
where:
Base-Base interactions energy: -450.117
where: short stacking energy: -202.355
Base-Backbone interact. energy: -1.674
local terms energy: -222.465550
where:
bonds (distance) C4'-P energy: -38.027
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -63.646
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: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -644.294084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.294084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.294084 (E_RNA)
where:
Base-Base interactions energy: -415.079
where: short stacking energy: -182.391
Base-Backbone interact. energy: -1.312
local terms energy: -227.903424
where:
bonds (distance) C4'-P energy: -41.756
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -34.311
tors. eta vs tors. theta energy: -61.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -624.422658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.422658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.422658 (E_RNA)
where:
Base-Base interactions energy: -416.146
where: short stacking energy: -185.167
Base-Backbone interact. energy: -0.293
local terms energy: -207.983906
where:
bonds (distance) C4'-P energy: -41.075
bonds (distance) P-C4' energy: -39.828
flat angles C4'-P-C4' energy: -45.442
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -58.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -588.386345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.386345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.386345 (E_RNA)
where:
Base-Base interactions energy: -396.008
where: short stacking energy: -178.476
Base-Backbone interact. energy: -0.587
local terms energy: -191.790940
where:
bonds (distance) C4'-P energy: -35.520
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -56.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -585.230110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.230110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.230110 (E_RNA)
where:
Base-Base interactions energy: -378.411
where: short stacking energy: -177.641
Base-Backbone interact. energy: -0.172
local terms energy: -206.647379
where:
bonds (distance) C4'-P energy: -37.942
bonds (distance) P-C4' energy: -40.181
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -55.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -535.565445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.565445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.565445 (E_RNA)
where:
Base-Base interactions energy: -357.631
where: short stacking energy: -150.179
Base-Backbone interact. energy: -0.577
local terms energy: -177.356503
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -49.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -412.734989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.734989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.734989 (E_RNA)
where:
Base-Base interactions energy: -255.202
where: short stacking energy: -108.958
Base-Backbone interact. energy: -1.938
local terms energy: -155.595262
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -27.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -325.827073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.827073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.827073 (E_RNA)
where:
Base-Base interactions energy: -173.591
where: short stacking energy: -90.048
Base-Backbone interact. energy: -0.975
local terms energy: -151.261025
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -187.654163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.654163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.654163 (E_RNA)
where:
Base-Base interactions energy: -93.981
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.801
local terms energy: -92.871554
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -1.277
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -176.243837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.243837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.243837 (E_RNA)
where:
Base-Base interactions energy: -53.325
where: short stacking energy: -27.802
Base-Backbone interact. energy: -0.668
local terms energy: -122.251665
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -41.981
flat angles C4'-P-C4' energy: -35.700
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: 8.992
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: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -670.762324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.762324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.762324 (E_RNA)
where:
Base-Base interactions energy: -457.822
where: short stacking energy: -206.415
Base-Backbone interact. energy: -1.971
local terms energy: -210.969993
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -49.202
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -64.313
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: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -637.831471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.831471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.831471 (E_RNA)
where:
Base-Base interactions energy: -435.592
where: short stacking energy: -198.726
Base-Backbone interact. energy: -1.350
local terms energy: -200.889388
where:
bonds (distance) C4'-P energy: -36.919
bonds (distance) P-C4' energy: -37.287
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -61.316
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: 493
Temperature: 1.000000
Total energy: -643.409857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.409857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.409857 (E_RNA)
where:
Base-Base interactions energy: -439.104
where: short stacking energy: -194.952
Base-Backbone interact. energy: -0.373
local terms energy: -203.933535
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: -59.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -594.557043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.557043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.557043 (E_RNA)
where:
Base-Base interactions energy: -394.148
where: short stacking energy: -180.982
Base-Backbone interact. energy: -0.544
local terms energy: -199.865802
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -41.280
flat angles P-C4'-P energy: -32.916
tors. eta vs tors. theta energy: -58.947
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: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -565.945885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.945885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.945885 (E_RNA)
where:
Base-Base interactions energy: -383.884
where: short stacking energy: -184.859
Base-Backbone interact. energy: -0.098
local terms energy: -181.964295
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -53.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -545.953822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.953822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.953822 (E_RNA)
where:
Base-Base interactions energy: -372.832
where: short stacking energy: -155.162
Base-Backbone interact. energy: -2.550
local terms energy: -170.572286
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -44.174
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: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -355.036763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.036763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.036763 (E_RNA)
where:
Base-Base interactions energy: -212.798
where: short stacking energy: -107.735
Base-Backbone interact. energy: -0.524
local terms energy: -141.714334
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -328.091580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.091580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.091580 (E_RNA)
where:
Base-Base interactions energy: -172.607
where: short stacking energy: -103.328
Base-Backbone interact. energy: 3.178
local terms energy: -158.662237
where:
bonds (distance) C4'-P energy: -37.956
bonds (distance) P-C4' energy: -41.746
flat angles C4'-P-C4' energy: -38.925
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -16.558
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: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -181.797750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.797750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.797750 (E_RNA)
where:
Base-Base interactions energy: -71.415
where: short stacking energy: -58.726
Base-Backbone interact. energy: -1.614
local terms energy: -108.769405
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -171.335250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.335250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.335250 (E_RNA)
where:
Base-Base interactions energy: -58.956
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.470
local terms energy: -111.909377
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -36.184
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: 10.689
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: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -683.423088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.423088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.423088 (E_RNA)
where:
Base-Base interactions energy: -456.592
where: short stacking energy: -213.542
Base-Backbone interact. energy: 0.827
local terms energy: -227.658231
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -68.412
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: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -638.878368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.878368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.878368 (E_RNA)
where:
Base-Base interactions energy: -433.446
where: short stacking energy: -182.824
Base-Backbone interact. energy: 1.376
local terms energy: -206.808552
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -57.738
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: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -629.417881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.417881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.417881 (E_RNA)
where:
Base-Base interactions energy: -428.811
where: short stacking energy: -204.497
Base-Backbone interact. energy: -0.019
local terms energy: -200.587308
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -35.206
tors. eta vs tors. theta energy: -63.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -617.845195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.845195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.845195 (E_RNA)
where:
Base-Base interactions energy: -403.043
where: short stacking energy: -191.534
Base-Backbone interact. energy: -0.982
local terms energy: -213.820693
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -45.208
flat angles C4'-P-C4' energy: -46.725
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -64.525
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: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -574.161735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.161735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.161735 (E_RNA)
where:
Base-Base interactions energy: -378.234
where: short stacking energy: -166.903
Base-Backbone interact. energy: -0.664
local terms energy: -195.263539
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -37.372
flat angles P-C4'-P energy: -30.026
tors. eta vs tors. theta energy: -52.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -558.079521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.079521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.079521 (E_RNA)
where:
Base-Base interactions energy: -381.973
where: short stacking energy: -156.440
Base-Backbone interact. energy: -0.322
local terms energy: -175.784877
where:
bonds (distance) C4'-P energy: -39.236
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -48.125
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: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -388.101955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.101955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.101955 (E_RNA)
where:
Base-Base interactions energy: -221.865
where: short stacking energy: -106.044
Base-Backbone interact. energy: -0.443
local terms energy: -165.793340
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -320.499597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.499597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.499597 (E_RNA)
where:
Base-Base interactions energy: -172.013
where: short stacking energy: -100.275
Base-Backbone interact. energy: 2.168
local terms energy: -150.654542
where:
bonds (distance) C4'-P energy: -32.374
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -206.485724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.485724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.485724 (E_RNA)
where:
Base-Base interactions energy: -91.740
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.363
local terms energy: -114.383148
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -171.103195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.103195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.103195 (E_RNA)
where:
Base-Base interactions energy: -64.392
where: short stacking energy: -54.502
Base-Backbone interact. energy: -0.399
local terms energy: -106.312579
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: 4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -666.421008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.421008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.421008 (E_RNA)
where:
Base-Base interactions energy: -452.711
where: short stacking energy: -204.651
Base-Backbone interact. energy: -0.167
local terms energy: -213.542978
where:
bonds (distance) C4'-P energy: -39.006
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -43.539
flat angles P-C4'-P energy: -28.793
tors. eta vs tors. theta energy: -60.978
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: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -642.778627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.778627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.778627 (E_RNA)
where:
Base-Base interactions energy: -425.790
where: short stacking energy: -190.316
Base-Backbone interact. energy: -0.134
local terms energy: -216.854607
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -37.933
flat angles C4'-P-C4' energy: -45.505
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -62.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -626.338449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.338449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.338449 (E_RNA)
where:
Base-Base interactions energy: -419.450
where: short stacking energy: -186.283
Base-Backbone interact. energy: -1.137
local terms energy: -205.751170
where:
bonds (distance) C4'-P energy: -37.983
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -44.826
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -60.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -586.601959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.601959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.601959 (E_RNA)
where:
Base-Base interactions energy: -392.948
where: short stacking energy: -174.340
Base-Backbone interact. energy: -0.753
local terms energy: -192.900673
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -37.292
flat angles C4'-P-C4' energy: -43.786
flat angles P-C4'-P energy: -25.187
tors. eta vs tors. theta energy: -51.687
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: 495
Temperature: 1.100000
Total energy: -605.024449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.024449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.024449 (E_RNA)
where:
Base-Base interactions energy: -406.290
where: short stacking energy: -192.028
Base-Backbone interact. energy: -0.221
local terms energy: -198.512910
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -24.159
tors. eta vs tors. theta energy: -59.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -534.036971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.036971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.036971 (E_RNA)
where:
Base-Base interactions energy: -358.824
where: short stacking energy: -154.500
Base-Backbone interact. energy: -0.349
local terms energy: -174.864160
where:
bonds (distance) C4'-P energy: -30.865
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -49.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -387.531216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.531216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.531216 (E_RNA)
where:
Base-Base interactions energy: -238.115
where: short stacking energy: -110.732
Base-Backbone interact. energy: -0.574
local terms energy: -148.842164
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -34.012
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -337.309619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.309619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.309619 (E_RNA)
where:
Base-Base interactions energy: -181.555
where: short stacking energy: -105.184
Base-Backbone interact. energy: -1.202
local terms energy: -154.552367
where:
bonds (distance) C4'-P energy: -37.817
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -222.674133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.674133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.674133 (E_RNA)
where:
Base-Base interactions energy: -118.051
where: short stacking energy: -70.393
Base-Backbone interact. energy: -2.635
local terms energy: -101.987674
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -12.014
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: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -172.402496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.402496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.402496 (E_RNA)
where:
Base-Base interactions energy: -48.891
where: short stacking energy: -41.218
Base-Backbone interact. energy: -0.607
local terms energy: -122.903837
where:
bonds (distance) C4'-P energy: -43.813
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -660.872693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.872693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.872693 (E_RNA)
where:
Base-Base interactions energy: -435.739
where: short stacking energy: -199.816
Base-Backbone interact. energy: -0.795
local terms energy: -224.338712
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -62.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -648.963488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.963488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.963488 (E_RNA)
where:
Base-Base interactions energy: -434.654
where: short stacking energy: -201.455
Base-Backbone interact. energy: 0.765
local terms energy: -215.074554
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -59.251
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: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -637.822951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.822951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.822951 (E_RNA)
where:
Base-Base interactions energy: -417.530
where: short stacking energy: -193.171
Base-Backbone interact. energy: -1.397
local terms energy: -218.895863
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -45.577
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -63.959
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: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -578.739882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.739882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.739882 (E_RNA)
where:
Base-Base interactions energy: -380.096
where: short stacking energy: -171.919
Base-Backbone interact. energy: 0.134
local terms energy: -198.777224
where:
bonds (distance) C4'-P energy: -41.109
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -51.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -603.178076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.178076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.178076 (E_RNA)
where:
Base-Base interactions energy: -411.856
where: short stacking energy: -192.120
Base-Backbone interact. energy: -0.041
local terms energy: -191.281039
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -42.851
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -59.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -520.657352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.657352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.657352 (E_RNA)
where:
Base-Base interactions energy: -344.429
where: short stacking energy: -136.459
Base-Backbone interact. energy: -0.196
local terms energy: -176.032116
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -37.342
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -25.677
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: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -345.764292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.764292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.764292 (E_RNA)
where:
Base-Base interactions energy: -193.631
where: short stacking energy: -107.024
Base-Backbone interact. energy: 0.049
local terms energy: -152.183117
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -41.591
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -354.229463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.229463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.229463 (E_RNA)
where:
Base-Base interactions energy: -208.467
where: short stacking energy: -90.421
Base-Backbone interact. energy: -0.700
local terms energy: -145.061657
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -14.358
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: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -178.787996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.787996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.787996 (E_RNA)
where:
Base-Base interactions energy: -57.156
where: short stacking energy: -58.208
Base-Backbone interact. energy: -1.295
local terms energy: -120.336262
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -38.034
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -170.512073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.512073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.512073 (E_RNA)
where:
Base-Base interactions energy: -55.081
where: short stacking energy: -37.847
Base-Backbone interact. energy: 0.288
local terms energy: -115.718642
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -32.108
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -665.428627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.428627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.428627 (E_RNA)
where:
Base-Base interactions energy: -445.404
where: short stacking energy: -193.371
Base-Backbone interact. energy: -2.865
local terms energy: -217.159287
where:
bonds (distance) C4'-P energy: -40.093
bonds (distance) P-C4' energy: -33.887
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -64.079
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: 497
Temperature: 0.950000
Total energy: -634.983102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.983102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.983102 (E_RNA)
where:
Base-Base interactions energy: -425.187
where: short stacking energy: -197.099
Base-Backbone interact. energy: -0.273
local terms energy: -209.523984
where:
bonds (distance) C4'-P energy: -41.176
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -44.684
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -62.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -609.645058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.645058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.645058 (E_RNA)
where:
Base-Base interactions energy: -401.389
where: short stacking energy: -180.417
Base-Backbone interact. energy: -0.819
local terms energy: -207.437266
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -33.386
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -606.979102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.979102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.979102 (E_RNA)
where:
Base-Base interactions energy: -387.143
where: short stacking energy: -172.832
Base-Backbone interact. energy: -0.343
local terms energy: -219.493540
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -44.737
flat angles C4'-P-C4' energy: -43.861
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -62.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -572.447294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.447294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.447294 (E_RNA)
where:
Base-Base interactions energy: -384.177
where: short stacking energy: -179.372
Base-Backbone interact. energy: -1.075
local terms energy: -187.194984
where:
bonds (distance) C4'-P energy: -38.726
bonds (distance) P-C4' energy: -31.615
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -47.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -525.270404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.270404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.270404 (E_RNA)
where:
Base-Base interactions energy: -343.899
where: short stacking energy: -137.546
Base-Backbone interact. energy: -0.226
local terms energy: -181.145005
where:
bonds (distance) C4'-P energy: -43.777
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -37.621
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -325.718090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.718090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.718090 (E_RNA)
where:
Base-Base interactions energy: -189.141
where: short stacking energy: -94.532
Base-Backbone interact. energy: -0.837
local terms energy: -135.740023
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -223.752064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.752064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.752064 (E_RNA)
where:
Base-Base interactions energy: -97.811
where: short stacking energy: -68.146
Base-Backbone interact. energy: 1.211
local terms energy: -127.152741
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -39.971
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -237.019877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.019877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.019877 (E_RNA)
where:
Base-Base interactions energy: -107.441
where: short stacking energy: -44.890
Base-Backbone interact. energy: -1.265
local terms energy: -128.314477
where:
bonds (distance) C4'-P energy: -35.901
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -178.904429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.904429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.904429 (E_RNA)
where:
Base-Base interactions energy: -56.593
where: short stacking energy: -51.487
Base-Backbone interact. energy: 2.371
local terms energy: -124.682121
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -679.566965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.566965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.566965 (E_RNA)
where:
Base-Base interactions energy: -448.348
where: short stacking energy: -198.536
Base-Backbone interact. energy: -0.366
local terms energy: -230.852408
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -63.822
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: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -639.633510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.633510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.633510 (E_RNA)
where:
Base-Base interactions energy: -409.527
where: short stacking energy: -193.633
Base-Backbone interact. energy: -0.708
local terms energy: -229.399243
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -43.761
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -66.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -630.781728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.781728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.781728 (E_RNA)
where:
Base-Base interactions energy: -420.856
where: short stacking energy: -182.816
Base-Backbone interact. energy: -0.047
local terms energy: -209.878584
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -58.499
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: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -593.065098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.065098 (E_RNA)
where:
Base-Base interactions energy: -399.657
where: short stacking energy: -168.837
Base-Backbone interact. energy: -0.741
local terms energy: -192.667514
where:
bonds (distance) C4'-P energy: -41.209
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -31.095
tors. eta vs tors. theta energy: -49.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -561.371526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.371526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.371526 (E_RNA)
where:
Base-Base interactions energy: -366.238
where: short stacking energy: -161.682
Base-Backbone interact. energy: -0.199
local terms energy: -194.933872
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -46.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -545.356430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.356430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.356430 (E_RNA)
where:
Base-Base interactions energy: -363.874
where: short stacking energy: -142.844
Base-Backbone interact. energy: 0.039
local terms energy: -181.521357
where:
bonds (distance) C4'-P energy: -37.864
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -37.404
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: -37.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -322.508906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.508906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.508906 (E_RNA)
where:
Base-Base interactions energy: -170.300
where: short stacking energy: -85.212
Base-Backbone interact. energy: -0.469
local terms energy: -151.739238
where:
bonds (distance) C4'-P energy: -39.974
bonds (distance) P-C4' energy: -38.648
flat angles C4'-P-C4' energy: -42.218
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -209.371314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.371314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.371314 (E_RNA)
where:
Base-Base interactions energy: -79.185
where: short stacking energy: -78.047
Base-Backbone interact. energy: 0.349
local terms energy: -130.534973
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -235.934161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.934161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.934161 (E_RNA)
where:
Base-Base interactions energy: -109.106
where: short stacking energy: -52.087
Base-Backbone interact. energy: -2.171
local terms energy: -124.656964
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -1.345
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: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -173.188565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.188565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.188565 (E_RNA)
where:
Base-Base interactions energy: -63.972
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.347
local terms energy: -108.869860
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: 4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -674.321395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.321395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.321395 (E_RNA)
where:
Base-Base interactions energy: -444.146
where: short stacking energy: -213.281
Base-Backbone interact. energy: -1.442
local terms energy: -228.733598
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -42.636
flat angles C4'-P-C4' energy: -49.206
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -67.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -642.452451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.452451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.452451 (E_RNA)
where:
Base-Base interactions energy: -433.559
where: short stacking energy: -190.746
Base-Backbone interact. energy: -0.739
local terms energy: -208.153968
where:
bonds (distance) C4'-P energy: -42.771
bonds (distance) P-C4' energy: -34.954
flat angles C4'-P-C4' energy: -46.043
flat angles P-C4'-P energy: -31.224
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: 499
Temperature: 1.000000
Total energy: -621.997994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.997994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.997994 (E_RNA)
where:
Base-Base interactions energy: -424.653
where: short stacking energy: -186.338
Base-Backbone interact. energy: -2.509
local terms energy: -194.836417
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -59.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -583.467468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.467468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.467468 (E_RNA)
where:
Base-Base interactions energy: -389.526
where: short stacking energy: -178.575
Base-Backbone interact. energy: -0.170
local terms energy: -193.771241
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -37.148
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -59.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -567.901915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.901915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.901915 (E_RNA)
where:
Base-Base interactions energy: -385.785
where: short stacking energy: -170.409
Base-Backbone interact. energy: 1.898
local terms energy: -184.015159
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -48.001
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: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -532.734053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.734053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.734053 (E_RNA)
where:
Base-Base interactions energy: -358.017
where: short stacking energy: -153.580
Base-Backbone interact. energy: -2.170
local terms energy: -172.546318
where:
bonds (distance) C4'-P energy: -39.501
bonds (distance) P-C4' energy: -33.902
flat angles C4'-P-C4' energy: -37.969
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -48.448
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: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -344.078122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.078122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.078122 (E_RNA)
where:
Base-Base interactions energy: -183.339
where: short stacking energy: -98.095
Base-Backbone interact. energy: -0.775
local terms energy: -159.964369
where:
bonds (distance) C4'-P energy: -37.624
bonds (distance) P-C4' energy: -40.321
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -218.911897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.911897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.911897 (E_RNA)
where:
Base-Base interactions energy: -105.426
where: short stacking energy: -70.541
Base-Backbone interact. energy: 0.007
local terms energy: -113.492425
where:
bonds (distance) C4'-P energy: -42.037
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -177.408562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.408562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.408562 (E_RNA)
where:
Base-Base interactions energy: -49.880
where: short stacking energy: -43.497
Base-Backbone interact. energy: -0.582
local terms energy: -126.946214
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -44.680
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -165.419718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.419718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.419718 (E_RNA)
where:
Base-Base interactions energy: -58.548
where: short stacking energy: -49.905
Base-Backbone interact. energy: -0.444
local terms energy: -106.428033
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: 1.971
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: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -660.541604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.541604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.541604 (E_RNA)
where:
Base-Base interactions energy: -452.136
where: short stacking energy: -186.720
Base-Backbone interact. energy: 0.049
local terms energy: -208.453759
where:
bonds (distance) C4'-P energy: -41.179
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -54.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -655.417450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.417450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.417450 (E_RNA)
where:
Base-Base interactions energy: -442.905
where: short stacking energy: -192.833
Base-Backbone interact. energy: -0.055
local terms energy: -212.457302
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -38.287
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -32.567
tors. eta vs tors. theta energy: -60.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -616.244441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.244441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.244441 (E_RNA)
where:
Base-Base interactions energy: -401.691
where: short stacking energy: -183.428
Base-Backbone interact. energy: -0.114
local terms energy: -214.439756
where:
bonds (distance) C4'-P energy: -37.466
bonds (distance) P-C4' energy: -37.558
flat angles C4'-P-C4' energy: -41.667
flat angles P-C4'-P energy: -35.046
tors. eta vs tors. theta energy: -62.703
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: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -591.673567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.673567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.673567 (E_RNA)
where:
Base-Base interactions energy: -385.537
where: short stacking energy: -165.847
Base-Backbone interact. energy: -1.523
local terms energy: -204.613453
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -39.591
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -56.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -549.022523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.022523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.022523 (E_RNA)
where:
Base-Base interactions energy: -356.870
where: short stacking energy: -136.308
Base-Backbone interact. energy: -0.681
local terms energy: -191.471311
where:
bonds (distance) C4'-P energy: -40.564
bonds (distance) P-C4' energy: -39.205
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -28.998
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: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -531.496711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.496711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.496711 (E_RNA)
where:
Base-Base interactions energy: -358.168
where: short stacking energy: -164.838
Base-Backbone interact. energy: -0.210
local terms energy: -173.118398
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -43.490
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: 500
Temperature: 1.200000
Total energy: -330.580112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.580112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.580112 (E_RNA)
where:
Base-Base interactions energy: -166.513
where: short stacking energy: -94.335
Base-Backbone interact. energy: -1.941
local terms energy: -162.126776
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -275.331502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.331502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.331502 (E_RNA)
where:
Base-Base interactions energy: -143.884
where: short stacking energy: -77.618
Base-Backbone interact. energy: -0.089
local terms energy: -131.358660
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -182.947013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.947013 (E_RNA)
where:
Base-Base interactions energy: -67.928
where: short stacking energy: -65.647
Base-Backbone interact. energy: 1.591
local terms energy: -116.609548
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -186.598625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.598625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.598625 (E_RNA)
where:
Base-Base interactions energy: -74.632
where: short stacking energy: -63.237
Base-Backbone interact. energy: -1.025
local terms energy: -110.941306
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -12.599
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: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -683.428272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.428272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.428272 (E_RNA)
where:
Base-Base interactions energy: -460.769
where: short stacking energy: -209.930
Base-Backbone interact. energy: -1.051
local terms energy: -221.608648
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -33.107
tors. eta vs tors. theta energy: -62.488
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: 501
Temperature: 0.950000
Total energy: -637.328947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.328947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.328947 (E_RNA)
where:
Base-Base interactions energy: -429.273
where: short stacking energy: -185.018
Base-Backbone interact. energy: -0.891
local terms energy: -207.164261
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -40.150
flat angles C4'-P-C4' energy: -38.171
flat angles P-C4'-P energy: -32.214
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: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -624.727344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.727344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.727344 (E_RNA)
where:
Base-Base interactions energy: -414.496
where: short stacking energy: -192.050
Base-Backbone interact. energy: 0.089
local terms energy: -210.320423
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -41.286
flat angles C4'-P-C4' energy: -46.387
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -59.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -591.243122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.243122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.243122 (E_RNA)
where:
Base-Base interactions energy: -396.481
where: short stacking energy: -168.416
Base-Backbone interact. energy: 0.290
local terms energy: -195.052546
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -48.020
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -48.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -560.953670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.953670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.953670 (E_RNA)
where:
Base-Base interactions energy: -387.226
where: short stacking energy: -159.796
Base-Backbone interact. energy: -1.424
local terms energy: -172.303043
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -44.078
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -49.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -526.911580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.911580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.911580 (E_RNA)
where:
Base-Base interactions energy: -340.162
where: short stacking energy: -161.125
Base-Backbone interact. energy: 1.098
local terms energy: -187.846832
where:
bonds (distance) C4'-P energy: -35.042
bonds (distance) P-C4' energy: -31.452
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -31.742
tors. eta vs tors. theta energy: -49.052
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: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -336.006765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.006765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.006765 (E_RNA)
where:
Base-Base interactions energy: -190.158
where: short stacking energy: -100.755
Base-Backbone interact. energy: -2.357
local terms energy: -143.492148
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -280.529165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.529165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.529165 (E_RNA)
where:
Base-Base interactions energy: -147.949
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.218
local terms energy: -132.362190
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -12.352
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: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -192.749002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.749002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.749002 (E_RNA)
where:
Base-Base interactions energy: -71.148
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.774
local terms energy: -120.827593
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -186.282823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.282823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.282823 (E_RNA)
where:
Base-Base interactions energy: -57.588
where: short stacking energy: -44.631
Base-Backbone interact. energy: -2.448
local terms energy: -126.247435
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -42.053
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: 4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 31290355
moves confirmed later: 34283205
all moves confirmed: 65573560
percent of confirmed moves: 8.196695
current total energy: -639.675765
recalc. total energy: -639.675765
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 31044003
moves confirmed later: 34123811
all moves confirmed: 65167814
percent of confirmed moves: 8.145977
current total energy: -567.623134
recalc. total energy: -567.623134
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 38667966
moves confirmed later: 43728395
all moves confirmed: 82396361
percent of confirmed moves: 10.299545
current total energy: -581.693582
recalc. total energy: -581.693582
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 34715390
moves confirmed later: 39002874
all moves confirmed: 73718264
percent of confirmed moves: 9.214783
current total energy: -521.752255
recalc. total energy: -521.752255
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 35866562
moves confirmed later: 40637691
all moves confirmed: 76504253
percent of confirmed moves: 9.563032
current total energy: -511.362759
recalc. total energy: -511.362759
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 37308220
moves confirmed later: 42512241
all moves confirmed: 79820461
percent of confirmed moves: 9.977558
current total energy: -437.544530
recalc. total energy: -437.544530
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 55187763
moves confirmed later: 65928575
all moves confirmed: 121116338
percent of confirmed moves: 15.139542
current total energy: -227.695552
recalc. total energy: -227.695552
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 71698015
moves confirmed later: 87319877
all moves confirmed: 159017892
percent of confirmed moves: 19.877236
current total energy: -276.518632
recalc. total energy: -276.518632
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 64308000
moves confirmed later: 77458382
all moves confirmed: 141766382
percent of confirmed moves: 17.720798
current total energy: -107.532378
recalc. total energy: -107.532378
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 74789407
moves confirmed later: 91204653
all moves confirmed: 165994060
percent of confirmed moves: 20.749257
current total energy: -94.372760
recalc. total energy: -94.372760
out arg RESULTS//1/B1-f4b921c1_01
Time of doing 8000000 iterations: 32720.336 seconds